nitration of benzene

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190 200 210 220 230 240 250 260 4 3.1 2.2 1.3 0.4 Reaction Coordinates -0.5 Nitration of Benzene

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Nitration of Benzene. C-N distance 4.00 A. C-N distance 3.50 A. C-N distance 3.10 A. C-N distance 2.60 A. C-N distance 2.20 A. C-N distance 1.90 A. C-N distance 1.63 A C-H distance 1.136A. C-H distance 1.45 A. C-H distance 1.70 A. C-H distance 2.10 A. C-H distance 2.50 A. - PowerPoint PPT Presentation

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Page 1: Nitration of Benzene

190

200

210

220

230

240

250

Enthalpy [kcal/mol]

260

4 3.1 2.2 1.3 0.4

Reaction Coordinates

-0.5

Nitration of BenzeneNitration of Benzene

Page 2: Nitration of Benzene

190

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230

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250

Enthalpy [kcal/mol]

260

4 3.1 2.2 1.3 0.4

Reaction Coordinates

-0.5

C-N distance 4.00 A

N OO

Page 3: Nitration of Benzene

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Enthalpy [kcal/mol]

260

4 3.1 2.2 1.3 0.4

Reaction Coordinates

-0.5

C-N distance 3.50 AC-N distance 3.50 A

Page 4: Nitration of Benzene

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Enthalpy [kcal/mol]

260

4 3.1 2.2 1.3 0.4

Reaction Coordinates

-0.5

C-N distance 3.10 AC-N distance 3.10 A

Page 5: Nitration of Benzene

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Enthalpy [kcal/mol]

260

4 3.1 2.2 1.3 0.4

Reaction Coordinates

-0.5

C-N distance 2.60 AC-N distance 2.60 A

Page 6: Nitration of Benzene

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250

Enthalpy [kcal/mol]

260

4 3.1 2.2 1.3 0.4

Reaction Coordinates

-0.5

C-N distance 2.20 AC-N distance 2.20 A

Page 7: Nitration of Benzene

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Enthalpy [kcal/mol]

260

4 3.1 2.2 1.3 0.4

Reaction Coordinates

-0.5

C-N distance 1.90 AC-N distance 1.90 A

Page 8: Nitration of Benzene

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250

Enthalpy [kcal/mol]

260

4 3.1 2.2 1.3 0.4

Reaction Coordinates

-0.5

C-N distance 1.63 AC-H distance 1.136AC-N distance 1.63 AC-H distance 1.136A

NO2

H

Page 9: Nitration of Benzene

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Enthalpy [kcal/mol]

260

4 3.1 2.2 1.3 0.4

Reaction Coordinates

-0.5

C-H distance 1.45 AC-H distance 1.45 A

Page 10: Nitration of Benzene

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Enthalpy [kcal/mol]

260

4 3.1 2.2 1.3 0.4

Reaction Coordinates

-0.5

C-H distance 1.70 AC-H distance 1.70 A

Page 11: Nitration of Benzene

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250

Enthalpy [kcal/mol]

260

4 3.1 2.2 1.3 0.4

Reaction Coordinates

-0.5

C-H distance 2.10 AC-H distance 2.10 A

Page 12: Nitration of Benzene

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220

230

240

250

Enthalpy [kcal/mol]

260

4 3.1 2.2 1.3 0.4

Reaction Coordinates

-0.5

C-H distance 2.50 AC-H distance 2.50 A

N

O

O

H

Page 13: Nitration of Benzene

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240

250

Enthalpy [kcal/mol]

260

4 3.1 2.2 1.3 0.4

Reaction Coordinates

-0.5

C-H distance 2.80 AC-H distance 2.80 A

Page 14: Nitration of Benzene

190

200

210

220

230

240

250

Enthalpy [kcal/mol]

260

4 3.1 2.2 1.3 0.4

Reaction Coordinates

-0.5

C-H distance 3.18 AC-H distance 3.18 A

N

O

O

H