electron collision data of c-h &c-f compound molecules for plasma modeling present status of our...

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Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics Sophia University, Tokyo, JAPAN 2 nd Research Co-ordination Meeting of the IAEA’s Co- ordinated Research Program on” Atomic and Molecular D ata for Plasma Modeling” IAEA, Vienna, Austria 19 Jun. 2007

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Page 1: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Electron Collision Data of

C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal  

   Hiroshi Tanaka

   Department of Physics

   Sophia University, Tokyo, JAPAN

  2nd Research Co-ordination Meeting of the IAEA’s Co-ordinated Research Program on” Atomic and Molecular Data for Plasma Modeling”

IAEA, Vienna, Austria 19 Jun. 2007

Page 2: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

TITLE OF RESEARCH TOPIC proposed

2005-2006Electron Collision Data of C-H Compound Moleculesfor Plasma Modeling

2007Electron Collision Data of C-H & C-F Compound Molecules for Plasma Modeling

Page 3: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

PROJECT PERSONNEL

Chief Scientific Investigator:

Hiroshi TANAKA (Prof. Sophia Univ. JAPAN)

Other Supporting Scientific Staff:

Masamitsu HOSHINO (Dr. Sophia Univ. JAPAN)

Mineo KIMURA (Prof. Kyushu Univ. JAPAN)

Michael J. BRUNGER (Prof. Flinders Univ. AUSTRALIA)

Stephen J. BUCKMAN (Prof., Australian Nat’l Univ. AUSTRALIA)

Casten MAKOCHEKANWA (Dr. Australian Nat’l Univ. AUSTRALIA )

Hyuck CHO (Prof. Chungnam Nat’l Univ. South KOREA)

Page 4: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

A: Results for the project Summary of WORK PLAN proposed (in 2005)

Year 1: Evaluation and analysis of related data available in literature but scattered in dif

ferent places all over the world within the framework of IAEA International Bulletin on Atomic and Molecular Data for Fusion.

Year 2: Compilation and addition of new data from our group as well as from other rese

arch groups to the database. In the same process, data from our group will be systematically compiled for the more than 30 molecules studied so far for the collision processes: elastic, vibrational and electronic excitations, and total cross sections.

Year 3: Proposal of new directions for producing missing but necessary experimental

and theoretical data for these processes related to fusion and plasma processing plasmas.

 

Page 5: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Outlook (presented in 2005)

EELS:Elastic Scattering: C3H6 C3F6 COF2

Vibrational Excitation : C3H6 C3F6 COF2

Electronic Excitation : C3F6 COF2 (H2O, DNA bases)

QMSS:Radical Detection: CHx (X = 30) from CH4

Our Data Base to be prepared in IAEA,NIFS Report, and AAMOP

Page 6: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Results (publication list related to IAEA)

1) Experimental and theoretical elastic cross sections for electron collisions with the C3H6 isomers, C. Makochekanwa et al, J. Chem. Phys. 124 024323-1 (2006)

2) Experimental observation of neutral radical formation from CH4 by electron impact in the threshold region, C. Makochekanwa et al, Phys. Rev. A 74 042705 (2006)

3) Low energy electron energy-loss spectroscopy of CF3X (X=Cl, Br), M. Hoshino et al, J. Chem. Phys. 126 024303 (2007)

4) Electron and positron scattering from 1,1-C2F2H2,

C. Makochekanwa et al, J. Chem. Phys. 126 164309-1 (2007)

Page 7: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Activities on Data Compilation

Our Data Base has been prepared as IAEA & NIFS Report, and a revised version will be arranged for IAEA Bulletin, Ad. At. Mol. Opt. Phys, or J. Chem. Phys. Data

The Projects for NIFS (2003-2006) and JAERA(2004-2006), in Japan, were accomplished in the last fiscal year, this March

Page 8: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Role of NIFS NETWORKNIFS , KAERI, & NFRCNETWORK

Research Institute

Industry

University

Research Society

Individual

Page 9: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

IAEA & NIFS report (to be submitted):Elastic Differential Cross Sections for Electron Collisions with Polyatomic Molecules

IAEA bulletin (being prepared):Database for Electron Collisions with Polyatomic Molecules: Elastic- and Resonant Vibrational Excitation-Differential Cross Sections

Report forDatabase for electron collision with polyatomic molecules

Page 10: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

IAEA & NIFS Report (2007)

Elastic Differential Cross Sections for Electron Collisions with Polyatomic Molecules

M. Hoshino1, H. Kato1, C. Makochekanwa1, 2, S.J. Buckman2, M. J. Brunger3, H. Cho4, M. Kimura5, D. Kato6, I. Murakami6, T. Kato6, and H. Tanaka1

1Department of Physics, Sophia University, Tokyo 102-8554, Japan2Center for Antimatter-Matter Studies, Australian National University, Canberra ACT 0200, Australia

3Center for Antimatter-Matter Studies, Flinders University, Adelaide SA 5001, Australia4Department of Physics, Chungnam National University, Daejeon 305-764, Korea

5Graduate School of Sciences, Kyushu University, Fukuoka 812-8581, Japan6National Institute of Fusion Science, Toki 509-5292, Japan

1 Introduction2 Definition of Cross Sections3 Experimental Techniques for Precision Measurement of Elastic DCS4 Benchmark Cross Section for Elastic DCS A. Fusion Plasma-Related Gases B. Processing Plasma-Related Gases C. Environmental Issues-Related Gases 5 Concluding RemarksThis work is supported partially by the IAEA, CUP, MEXT, and ARC

Page 11: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

List of Molecules tabulated in this report

A. Fusion Plasma-Related Gases CH4, C2H6, C3H8, C2H4, C3H6, isomers-C3H4

B. Processing Plasma-Related Gases CF4, C2F6, C3F8, C3F6, cyclo-C4F8, C2F4, C6F6, CH3F, CH2F2, CHF3 , CF3I NF3, SF6 SiH4, Si2H6, GeH4

C. Environmental Issues -Related Gases

CF3Cl, CF3Br H2O, CO2, N2O

Page 12: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

New Version for IAEA Bulletin , Ad. At. Mol. Opt. Phys., or J. Chem. Phys. Data

Database for Electron Collisions with Polyatomic Molecules: Elastic- and Resonant Vibrational Excitation -Differential Cross Sections

M. Hoshino1, H. Kato1, C. Makochekanwa1, 2, S.J. Buckman2, M. J. Brunger3, H. Cho4, M. Kimura5 and H. Tanaka1

1Department of Physics, Sophia University, Tokyo 102-8554, Japan2Center for Antimatter-Matter Studies, Australian National University,

Canberra ACT 0200, Australia3Center for Antimatter-Matter Studies, Flinders University, Adelaide SA 5001, Australia

4Department of Physics, Chungnam National University, Daejeon 305-764, Korea 5Graduate School of Sciences, Kyushu University, Fukuoka 812-8581, Japan

1 Introduction2 Definition of Cross Sections3 Experimental Techniques for Precision Measurement of Elastic DCS4 Benchmark Cross Section for Elastic DCS A. Fusion Plasma-Related Gases B. Processing Plasma-Related Gases C. Environmental Issues-Related Gases 5 Resonant Vibrational Excitations6 Concluding RemarksThis work is supported partially by the IAEA, CUP, MEXT, and ARC

Page 13: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

SUMMARY of ACTIVITIES for DATABASE from 2005 to 2008Target Molecules: H-C Molecules produced from the internal wall materials of fusion

chambers H-C & C-F Molecules for plasma processing

Research directions for the first two years: 2005: compilation and analysis of data already available in

literature that relates to this filed of plasma modeling 2006: analyzing recent data from our collaboration group in

conjunction with related data from other laboratories on cross sections from these molecules

Our Database compiled is restricted only to our own elastic DCS

Page 14: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Research directions for 2008 and in future: 2008: propose directions for experimentalists and theorists to come up with new cross section data that would make the database for each molecule as complete as feasible as relates to the application to the fusion- and plasma processing- plasmas (proposed 2005)

Furthermore, being proposed as follows:Experimental Verification for BEf - Scaling Law in Electron-Molecule Collision

continued

Page 15: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Data Needs forData Needs for Electron collision cross section of plasma-relevant gases –

present and future

H.TANAKA and M. HOSHINODepartment of Physics

Sophia UniversityTokyo, Japan

2nd   Research Co-ordination Meeting of the IAEA’s Co-ordinated Research Program on ” Atomic and Molecular Data for Plasma Modeling”

IAEA, Vienna, Austria 19 Jun. 2007

B: Progress in the project

Page 16: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Collaboration

International Chugnam National University ( Prof. Cho S. Korea) Australian National University (Prof. Buckman AU) Flinders University of Southern Australia (Prof. Brunger AU) The Open University (Prof. Mason UK) NIFS (Dr. Y.-ki Kim deceased)

Domestic Kyushu University (Prof. Kimura, Collaboration Theoretical) NIFS (Prof. Kato under the Japan-Korea CUP program) JAERI (Dr. Kubo under the Fusion Plasma Project in Japan) Tohoku University(Prof. Ueda, SR experiment at Spring-8) RIKEN (Prof. Yamazaki, Highly Charged Ion Research)

Page 17: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Group Members

Dr. M. Hoshino (Assist. Prof.) :

T. Tanaka (D3) : SR Experiment

H. Kato (D2) : EELS

H. Kawahara (M1) : EELS

Y. Nagai (M1) : EELS

Kobayashi (M1) : Threshold Electron Spectroscopy by TOF

Tomita (M1) : Positron Experiment

Ishii (M1) : Negative Ion & LEED ( now in US)

Kanazawa( M1) : Capillary Experiment on Highly Charged Ion

Page 18: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Data providers(Atomic physicists) * theory * experiment

Data users in variousapplication fields * fusion science * astrophysics * industrial plasmas * environmental physics * medical (radiotherapy) etc.

Data centers data compilation data evaluation (important but not easy) dissemination and updating of database retrievable online database = easy to access, use, find data

Data requests

Data

need

s

Data provide

Dat

a pr

ovid

e

Data

sear

ch

Hard to find or request data

Data search for check

International A&M data center network IAEA, NIFS, NIST, ORNL, GAPHIOR, etc.

Data provide

feed

back

Views from Database assessed data on electron collision cross sections

Page 19: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Research Sites

SPring-8SPring-8

RIKENRIKEN

SophiaSophiaelectronelectronpositronpositron

photonphoton

ionion

scattered electronscattered electron

ejected electronejected electronsecondary-photo secondary-photo -Auger-electron-Auger-electron

positive / negative ion, radicalpositive / negative ion, radical

AtomAtom MoleculeMolecule

SurfaceSurface

Science Univ. of TokyoPhoton Factory

Page 20: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Electron Interactions with Molecule Collision Processes of Interest Quantitative Differential Cross Section Measurements Electron Energy-loss Spectroscopy (EELS):

Elastic Scattering DCSResonant Phenomena in Vibrational ExcitationElectronic Excitation Process, GOS

Quadra- Pole- Mass Spectroscopy (QMSS)Non-radiative Dissociation Products (Threshold Ionization Spectroscopy)Dissociative Attachment Processes

Low Energy Electron Diffraction (LEED)Surface and Phase Transition (previously presented in 2005)

Page 21: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Definition of various Cross Section

・ Differential Cross Section for channel “n”

2

00

0 ),(),(

),(

Ef

k

k

d

EdqE n

i

fnnσ

・ Integral and Momentum transfer Cross Section

Crossed beam method

ddEEq nn sin),()(2

0 0

00

ddEEqM sin)cos1(),()( 000

・ Total Cross Section

n

n EqEQ T )()( 00

Transmission experiment

NlQTeII 0

n

nT qQ)( mn

Swarm experiment

※Upper limit of cross sections

cvX tffmFfvtf ][)(

Boltzmann equation

Measurements of electron collision-cross sections

Page 22: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

On-going and Near -future Measurements EELS:

Elastic Scattering: (CH3)O, C6H5 X (X=H, CH3, CF3)

Vibrational Excitation : (CH3)O, C6H5X (X=H, CH3, CF3),

CH3X (X=I, Br), (CH3)O

Electronic Excitation : H2, CO, NO, H2O, C6H5 X (X=H, CH3, CF3)

CH3X(X=I, Br)

Excited Molecular Target: vibratinally excited H2, CO2 (in progress) QMSS:

Radical Detection: CHx (X=1,2,3) from CH4

Negative Ion Detection: CH4, F2CO & Condensed-Phase (in progress) LEED:

Anti-ferromagnetic Surface: NiO, CoO, FeO (in progress)SR: Inner-shell soft X-ray photoelectron & Auger electron spectroscopy

Page 23: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Collision Data for Molecules by Electron Impact

investigated at Sophia University

CH4, C2H6, C3H8, C2H4, C3H4, C3H6

CF4, C2F6, C3F8, C2F4, c-C4F8, C6F6, C3F6

CF3H, CF2H2, CFH3, CH3I, CH3Br

CF3Cl, CF3Br, CF3I

CF2Cl2, CFCl3, 1,1-C2F2H2

SiH4, Si2H6, SiF4, GeH4

NF3, C60, C6H6, C6H5CH3, C6H5CH3, (CH3)2CO

N2O, CO2, COS, H2O, CS2, XeF2, HCN

H2CO

H2, CO, N2, NO, He

(molecules marked pink after the 1st RCM)

Page 24: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

1) EELS

Why (CH3)2O and C6H5 X (X=H, CH3, CF3)?

(CH3)2O: Alternative of the car fuel C6H5CH3 and C6H6: Volatile Organic Molecule (VOC), Chemical Hazard regulated under the PRTR (Pollutant Release and Transfer Register )

Page 25: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Toluene: VOC (volatile organic molecule)VOC (volatile organic molecule)

C6H5CH3, C6H5CF3 C6H6

PRTR (Pollutant Release and Transfer Register)PRTR (Pollutant Release and Transfer Register)

Atmospheric Discharge PlasmaAtmospheric Discharge Plasma

Page 26: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

0 30 60 90 120 150 180

1

10

100

C6H

6 elasticImpact 1.1 eVImpact 4.9 eVImpact 8.5 eVImpact 15 eV

FWHM = 40 meVDCS error 10 %

H. Cho et al., J. Phys. B 34, 1019 (2001).

DC

S (

10-1

6 cm2 /s

r)

Scattering Angle (deg)0 30 60 90 120 150 180

1

10

100

C6H

5CH

3 elastic

Impact 1.5 eVImpact 4.5 eVImpact 7.5 eVImpact 15 eV

FWHM = 40 - 50 meVDCS error 13 - 17 %

DC

S (

10-1

6 cm2 /s

r)

Scattering Angle (deg)0 30 60 90 120 150 180

1

10

100

C6H

5CF

3 elastic

Impact 4.5 eVImpact 7.5 eVImpact 15 eV

FWHM = 40 - 45 meVDCS error 13 %

DC

S (

10-1

6 cm2 /s

r)

Scattering Angle (deg)

Elastic DCS

Comparisons of C6H6, C6H5CH3 and C6H5CF3

H. Cho et al., J. Phys. B 34, 1019 (2001).

Page 27: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

-0.2 -0.1 0.0 0.1 0.2 0.3 0.4 0.5 0.60

20

40

60

80

100

CH

3 as

ym b

endi

ng

CH

3 um

brella

node

sym

str

echin

gC

H3

asym

str

echin

g

arom

atic

C-H

str

echin

g

arom

atic

C=C

Inte

nstit

y (a

rb. u

nits

)

Energy Loss (eV)

TolueneImpact 7.5 eV 90deg

Energy Loss Spectrum of Toluene - vibrational excitation

Loss 0.17eV CH3   umbrella mode CH3 asym bending aromatic C=C

Loss 0.38eV aromatic C-H streching CH3 asym streching sym streching

Page 28: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Total Cross Section & Resonant Vibrational Excitation

0 5 10 15 20 25 300

0.1

0.2

0.3

0

20

40

60

80

DC

S[1

0–1

8cm

2 ]

Impact Energy [eV]

TC

S[10

–16cm2]:Loss 0.17eV:Loss 0.38eV:TCS

90deg

Page 29: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Vibrational Excitation Functions for the stretching vib. modes

Page 30: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

e-

shape resonance

e-

direct scattering

Ueff

l(l+1)/ r2

r

- U0

a

e-

e-

Shape resonance

Page 31: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

2 4 6 8 10 12 140.0

0.5

1.0

1.5

2.0Impact Energy 100 eVScattering Angle 5 deg

C6H

5CF

3

C6H

6

C6H

5CH

3

1E1u

1B2u

1E2g

or 1B

1u

x 40

I. P.8.82 eV

x 40

x 100

I. P.9.246 eV

I. P.9.685 eV

D

CS

(10

-16 cm

2 /sr)

Energy Loss (eV)

Substituting effects on Electronic Excitation

Page 32: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Y.-K. Kim and M. E. Rudd, Phys. Rev. A 50, 3954 (1994)

BEf -scaling proposed by Yong-ki Kim

Deduction of unavailable data

1. Ionization cross section

Page 33: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

2max0

2min0

)(

)( 20

200

20

20

)(

)(

/

)(4)(

4 Ka

KaPWBPWB Ka

Kad

RE

KF

T

RaTF

T

Ra

PWBPWB

accurBEf f

f

EBT

T

2. Optically allowed electronic excitation for Atom

Page 34: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

BEf -scaling proposed by Yong-ki Kim 3. Electronic excitation cross sections in CO

Page 35: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

0 20 40 60 80 1000.1

1

10

100

Impact Energy 50eV Sophia's Data Flinder's Data Flinder's Data (80%)

A1 (=2) ← X1+

DC

S (

10-1

8 cm2 /s

r)

angle (deg)

DCS for v =2 of the A state in CO

Page 36: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

10- 3 10- 2 10- 1 100 101 1020.000

0.005

0.010

0.015

0.020

0.025

0.030

0.035

0.040

0.045

0.050

A1 (=2) ← X1+

100 eV 200 eV

OOS=0.03886

GO

S (

a. u. )

K2 (a. u. )

GOS of v =2 of the A state in CO

Page 37: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Concepts of Yong –ki Kim’s TheoryConcepts of Yong –ki Kim’s Theory

We use the BEf - scaling on Born

BEf (T) faccufBorn

T

(T B E)

Born (T)

where T = incident energy of the electrons B = Binding energy E = Excitation Energy faccu = accurate optical oscillator strength (OOS) value fBorn = value of the optical oscillator strength obtained from the same wavefunctions used to calculate Born

Page 38: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Generalised oscillator strengths (GOS) for the A1(=7)X1+(=0) excitation of CO are available from Chantranupong et al

The GOS must be integrated over angles (≡momentum transfer Ka0) to get Born. This is achieved using the analytic formula of Vriens with one fitting constant a:

Here we also use the accurate OOS for the A1 state from Berkowitz

GOS fBorn 1 Ka0 2a 6

(1)

Scaling parameters for CO

Page 39: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

10 100 10000

10

20

30

40

A1 (=2) ← X1+

Sophia + Flinders Data Z. P. Zhong P. W. Zetner E. N. Lassettre J. Zobel Born, unscaled Born, BEf-scaled

IC

S (

10-1

8 cm2 )

Impact Energy (eV)

Page 40: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

0

10

20

30

40=0

A1 ← X1+

Sophia + Flinders Data Z. P. Zhong P. W. Zetner E. N. Lassettre J. Zobel Born, unscaled Born, BEf-scaled

=1

=2

=3

10 100 10000

10

20

30

40

=4

ICS

(10

-18 cm

2 )

10 100 1000

=5

Impact Energy (eV)10 100 1000

=6

10 100 1000

=7

Comparisons for the ICSthe scaling & the present data

Page 41: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

ITER (International Thermonuclear Reactor)

Data Needs for

Carbon impurities (H/D-C molecules) produced by physical and chemical sputtering CH/D3, CH/D4, C2H/D2, C2H/D4, C2H/D6, C3H/D8

Vibrationally (Hot) excited Molecules H2, D2

Page 42: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Neutral Radical Detection- ionization threshold spectroscopy

Parent neutral

CH4+ CH3

+ CH2+ CH+ C+

CH4 12.6 14.3 15.1 22.2

25

CH3 9.8 15.1 17.7

25

CH2 10.3 17.4

20.2

CH 13.0

20.3

C 16.8

Table 1. Ionization thresholds

e + CH4 CH3 + H + e

e + CH3 CH3+

+2e

Page 43: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Non-radiative CH3 Radical from CH4 by Electron Impact

5 6 7 8 9 10 11 12 13 14 15 16 17 18 190.0

0.5

1.0

1.5

CH3 nuetral radical

present work Sugai et al. Moore et al.

Absolu

te c

ross s

ecti

on (

10

-16 c

m2 )

Impact energy (eV)

Page 44: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

4 6 8 10 12 140.0

0.2

0.4

0.6

0.8

1.0

1.2

1.4 CH

3ラジカル

Abs

olut

e cr

oss

sect

ion

(10

-16cm

2 )

Impact energy (eV)

8 10 12 14 160.0

2.0x10- 17

4.0x10- 17

6.0x10- 17

8.0x10- 17

1.0x10- 16

1.2x10- 16

1.4x10- 16

1.6x10- 16

Abso

lute

Cro

ss S

ection (

×10-

16 c

m2 )

Impact Energy (eV)

Moore Sugai

Radical production near threshold

Page 45: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Electronic excitation of CH4 by electron impact

― Optical excitation spectrum

H.H.Brongersma and L. J. Oosterhoff, Chem. Phys.Lett. 3 437 (1969)

2 4 6 8 10 12 14 16 18

Tra

pped e

lectr

on c

urr

ent

Electron acceleration voltage Va (V)

Energy Loss Triplet S inglet

1 3T2  

1 1T2

Ethr  

1 1T2:   8.5 eV

1 3T2: 7.5 eV

Threshold Energy

Page 46: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

4 5 6 7 8 9 10 11 12 13 14 150.0

0.5

1.0

1.5

0.0

0.5

1.0

Cro

ss s

ectio

ns (

10

-16 c

m2 )

present work

Absolu

te c

ross s

ecti

on (

10

-16 c

m2 )

Impact energy (eV)

3T2

1T2

CH4 photoab., Kameta et al.

CH4 neutral diss., Kameta et al.

CH4 photoab., Au et al.

Comparison of present and optical results

K. Kameta, N. Kouchi, M. Ukai, Y. Hatano J. Electron Spectrosc. Relat. Phenom. 123, 225 (2002)

Page 47: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

7 8 9 100.00

0.02

0.04

0.06

0.08

0.10

0.12

0.14

0.16 CH

3ラジカル

Abso

lute

cro

ss s

ecti

on (

10

-16 c

m2 )

Impact energy (eV)

1 3T2

Low Lying 3T2 contribution for producing CH3

8.5 eV1 1T2

+

Other channels

Page 48: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Higher electronic excitation states

5 6 7 8 9 10 11 12 130.0

0.5

1.0

1.5

0.0

0.5

Cro

ss s

ectio

ns (

10-1

6 c

m2 )

present work A

bsol

ute

cros

s se

ctio

n (1

0-1

6cm

2 )

Impact energy (eV)

CH4 photoab., Kameta et al.

CH4 neutral diss., Kameta et al.

CH4 photoab., Au et al.

Jahn-Teller

4s Rydberg

Page 49: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

8 9 10 11 12 13 14 150

5

10

15

20

Inte

nsity (

arb

. u

nits)

Impact Energy (eV)

CH4

Total

CH2

-

CH-

CH3

-

C-

Negative ion formation on CH4 + e

CH4 + e CH3-

CH2-

CH-

C-

?

gas phase or surface

?

Page 50: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Electron impact cross section from vibrationally excited CO2

Page 51: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

0deg ARIY spectra

100 180 100  Bond angle (deg)

En

erg

y (a

rb. u

nits

)

Electronic ground state 2=0

2=1

Ph

oto

n E

ner

gy

B1 state (linear)

A1 state (bent)

1s*core excited states

h

Synchrotron Radiation Experiments : hot MoleculesCO2: Molecular Properties

Page 52: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Angle resolved ion yield spectra of hot-CO2

resonance

T. Tanaka et al, PRL 95 203002 (2005)

Page 53: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

400 410 420 430 440 4500.0

0.2

0.4

0.6

Rydberg*

* (Nc)

(Nt)Nc1s-1

Nt1s-1

* shape resonance

Photon energy (eV)

Inte

nsity

(arb

. units)

initial state ground (0,0,0) bending excited (0,1,0)

Angle resolved ion yield spectra of hot-NAngle resolved ion yield spectra of hot-N22OO in the region of shape resonancein the region of shape resonance

T. Tanaka et a, PRL submitted

Page 54: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Outlook EELS: Elastic Scattering: CH3)O, C6H5 X (X=H, CH3, CF3) Vibrational Excitation :CH3)O, C6H5X (X=H, CH3, CF3), CH3X (X=I, Br), (CH3)O Electronic Excitation : H2, CO, NO, H2O, C6H5 X (X=H, CH3, CF3), CH3X(X=I, Br)QMSS: Radical Detection: CHx (X=1,2,3) from CH4

Negative Ion Detection: CH4, F2CO & Condensed-Phase (in progress)QMSS: Radical Detection: CHx (X=1,2,3) from CH4

Negative Ion Detection: CH4, F2CO & Condensed-Phase (in progress) Database prepared for IAEA &NIFS Report SR: Inner-shell soft X-ray photoelectron & Auger electron spectroscopy

Excited Molecular Target: vibratinally excited H2, CO2 (in progress)A revised Database being prepared for AAMOP

Page 55: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Molecules investigated

A. Fusion Plasma-Related GasesCH4, C2H6, C3H8, C2H4, C3H6, isomer- C3H4

B. Processing Plasma-Related Gases CF4, C2F6, C3F8, C3F6 cyclo-C4F8, C2F4, C6F6,

CH3F, CH2F2, CHF3 NF3, (SF6 ) SiH4, Si2H6, GeH4, SiF4 F2COC. Environmental Issues -Related Gases CF3Cl, CF3Br,

CF3I, CF2Cl2, CFCl3 CO2, N2O,( H2O), OCS, CS2 H2CO,C6H5X(X=H,CH3,CF3), (CH3)2O, CH3I

Page 56: Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Present Status of Our Research Proposal Hiroshi Tanaka Department of Physics

Review Articles previously published

Review articles after 1990, 1. International Bulletin on Atomic and Molecular Data for Fusion, 42(1992)-58(2000)    published by IAEA,2. Collision Data Involving Hydro-Carbon Molecules, H. Tawara, Y. Itikawa, H. Nishimura, H. Tanaka, and Y. Nakamura, NIFS-DATA-6 July (1990)3. Atomic Data and Nuclear Data Tables 76 (2000) 14. One Century of Experiments on Electron-Atom and Molecule Scattering: a Critical Review of Integral Cross-sections Ⅱ-Polyatomic Moecules,Ⅲ-Hydrocarbons and Halides, G. P. Karwasz, R. S. Brusa, and A. Zecca, La Rivista del Nuvo Cimento 24 (1) (4) 2001

5. Analytic Cross Sections for Electron Collisions with Hydrocarbons: CH4, C2H6, C2H4,

C2H2, C3H8, and C3H6, T. Shirai, T. Tabata, H. Tawara, and Y. Itikawa, Atomic Data and Nuclear Data Tables 80, 147-204 (2002)6. Interaction of Photons and Electrons with Molecules, M.J.Brunger and S.J.Buckman, Photon and Electron Interactions with Atoms, Molecules, and Ions, vilI/17, sub-volume C ed Y. Itikawa, Landorf-Beurnstein (2003, Berlin: Springer) p6-118

7. Collision Processes of C2, 3Hy and C2, 3Hy Hydrocarbons with electrons and Protons R. K .Janev and D. Reiter, Phys. Plasma 11 (2004) 7808. Vibrational Excitation of Polyatomic Molecules by Electron Collisions Y. Itikawa, J. Phys. B: At. Mol. Opt. Phys 37 R1-24 (2004)