maja Šumar - ristović a , vlada blagojević b , maja gruden-pavlović a , katarina anđelković...
DESCRIPTION
Kinetics and mechanism of thermal degradation of Zn(II) complex with N - benzyloxycarbonyl glycinato ligand. Maja Šumar - Ristović a , Vlada Blagojević b , Maja Gruden-Pavlović a , Katarina Anđelković a , Dejan Poleti c , Dragica M. Minić b a Faculty of Chemistry, - PowerPoint PPT PresentationTRANSCRIPT
Maja Šumar-Ristovića Vlada Blagojević b Maja Gruden-Pavlovića Katarina Anđelkovića Dejan Poletic Dragica M Minićb
aFaculty of Chemistry University of Belgrade SerbiabFaculty of Physical Chemistry University of Belgrade SerbiacFaculty of Technology and Metallurgy University of Belgrade Serbia
The most stable conformation of starting complex (Ea = 714 kJmol)
Calculated enthalpies changes indicate one step decomposition of intermediate Calculated Ea of
intermediate [Zn(OOCCH2NHCmiddotO)2] is 458 kJmol
Changes of the activation energies with conversion degree indicate complex processes involving more than one step
Structure Fragment ΔH175 ΔH297
Two step mechanismStep 1 [Zn(N-Boc-gly)2] C6H5CH2O 7976 7907
Step 2 [Zn(N-Boc-gly)(OOCCH2NHCO] C6H5CH2O -831 -822
One step mechanism [Zn(N-Boc-gly)2] 2 C6H5CH2O 7138 7147
Thermal Stability
Kinetics and Mechanism
First Principle Calculations
0 200 400 600 800 1000
20
40
60
80
100
= 15 oC min-1
T oC
m
-30
-25
-20
-15
-10
-05
00
05
10
T
0 200 400 600 800 1000
00
05
10
15
20 = 15 oC min-1
Der
ivat
ive
mas
s
o C-1
T oC
00 02 04 06 08 1060
80
100
120
140
160
180
200 Step 3
Friedman KAS
E a kJ m
ol-1
00 02 04 06 08 10
280
300
320
340
360
380
400
420
440
460
E a kJ m
ol-1
Step 2 Friedman KAS
00 02 04 06 08 100
100
200
300
400
500
600
700
800 Step 1 Friedman KAS
E a kJ m
ol-1
- PowerPoint Presentation
-