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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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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
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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
190
200
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230
240
250
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
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-N distance 3.10 AC-N distance 3.10 A
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-N distance 2.60 AC-N distance 2.60 A
190
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230
240
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
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-N distance 1.90 AC-N distance 1.90 A
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-N distance 1.63 AC-H distance 1.136AC-N distance 1.63 AC-H distance 1.136A
NO2
H
190
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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 1.45 AC-H distance 1.45 A
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 1.70 AC-H distance 1.70 A
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 2.10 AC-H distance 2.10 A
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 2.50 AC-H distance 2.50 A
N
O
O
H
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 2.80 AC-H distance 2.80 A
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
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