Transition state dynamics of the OH+H2O hydrogen exchange reaction studied by dissociative photodetachment of H3O2-

2000 ◽  
Vol 115 ◽  
pp. 147-160 ◽  
Author(s):  
Hans-Jürgen Deyerl ◽  
A. Khai Luong ◽  
Todd G. Clements ◽  
Robert E. Continetti
Keyword(s):  
Transition State ◽  
Exchange Reaction ◽  
Hydrogen Exchange ◽  
Dissociative Photodetachment

Hydrogen exchange and isomerization in ortho substituted benzamides. On the question of free rotation in an N-protonated amide

1979 ◽  
Vol 57 (22) ◽  
pp. 2896-2901 ◽  
Author(s):  
Robert A. McClelland ◽  
William F. Reynolds
Keyword(s):  
Exchange Reaction ◽  
Rate Constants ◽  
Hydrogen Exchange ◽  
Isomerization Reaction ◽  
Free Rotation ◽  
Bond Rotation ◽  
Diffusion Limited ◽  
Deprotonation Reaction ◽  
Substituted Benzamides ◽  
Acid Catalyzed

Rate constants have been obtained for the acid-catalyzed N–H exchange of N-methyl, 2,N-dimethyl, and 2,4,6,N-tetramethylbenzamide and the acid-catalyzed isomerization of the three corresponding N,N-dimethylbenzamides. The ratio [Formula: see text] increases significantly with increased number of ortho methyl substituents. This is explained in terms of a suggestion of Perrin, that C—N bond rotation is not completely free in the N-protonated amide, since it must compete with a diffusion limited deprotonation reaction. The isomerization reaction, which requires such a rotation, is therefore slowed by ortho methyl substituents which hinder rotation, relative to the exchange reaction, which does not require rotation.

Hot-atom mechanism in hydrogen exchange reaction on the Ir{100} surface

2000 ◽  
Vol 323 (5-6) ◽  
pp. 586-593 ◽  
Author(s):  
Michio Okada ◽  
Kousuke Moritani ◽  
Mamiko Nakamura ◽  
Toshio Kasai ◽  
Yoshitada Murata
Keyword(s):  
Exchange Reaction ◽  
Hydrogen Exchange

State-to-state dynamics of the hydrogen exchange reaction

1986 ◽  
Vol 18 (9) ◽  
pp. 937-948 ◽  
Author(s):  
James J. Valentini ◽  
Daniel P. Gerrity
Keyword(s):  
Exchange Reaction ◽  
Hydrogen Exchange

Allowed and Forbidden Reaction Paths for the H2 + D2 Exchange Reaction

1975 ◽  
Vol 53 (4) ◽  
pp. 549-555 ◽  
Author(s):  
James S. Wright
Keyword(s):  
Transition Metal ◽  
Transition State ◽  
Exchange Reaction ◽  
Barrier Height ◽  
Dissociation Energy ◽  
Basis Set ◽  
Reaction Paths ◽  
Double Zeta ◽  
Double Zeta Basis

Symmetry arguments and abinitio s.c.f. calculations (double-zeta basis set) are used to show that the exchange reaction H2+ D2 → 2HD could proceed in a concerted fashion through a six-center transition state. The computed barrier height of 90 kcal/mol for this process lies below the experimental dissociation energy of H2 (but above the computed dissociation energy) and also below the energy required for exchange through a four-center transition state. Either the termolecular(2 + 2 + 2 ) or bimolecular(4 + 2 ) cycloadditions are thermally allowed. The presence of a transition metal would allow the reaction to proceed through a four-center geometry, leading to the formation of a possibly stable metal-H4 complex.

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