Theories of Chemical Reactions

Flere, we shall concentrate on basic approaches which lie at the foundations of the most widely used models. Simplified collision theories for bimolecular reactions are frequently used for the interpretation of experimental gas-phase kinetic data. The general transition state theory of elementary reactions fomis the starting point of many more elaborate versions of quasi-equilibrium theories of chemical reaction kinetics [27, M, 37 and 38]. 

Lindemann F A 1922 Discussion on the radiation theory of chemical reactions Trans. Faraday Soo. 17 598-9... 

Kapral R 1981 Kinetic theory of chemical reactions in liquids Adv. Chem. Phys. 48 71... 

Brinkman H C 1956 Brownian motion in a field of force and the diffusion theory of chemical reactions Physica 12 149-55... 

Hynes J T 1985 The theory of reactions in solution Theory of Chemical Reaction Dynamics ed M Baer (Boca Raton, FL CRC Press) pp 171-234... 

Keck J 1960 Variational theory of chemical reaction rates applied to three-body recombinations J. Chem. Phys. 32 1035 Anderson J B 1973 Statistical theories of chemical reactions. Distributions in the transition region J. Chem. Phys. 58 4684... 

Miller W H 1998 Quantum and semiclassical theory of chemical reaction rates Faraday Disc. Chem. Soc. 110 1... 

Baer M (ed) 1985 The Theory of Chemical Reaction Dynamics (Boca Raton, FL Chemical Rubber Company)... 

M. Baer, ed.. Theory of Chemical Reaction Dynamics Vols. I and II, CRC Press, Boca Raton, FL, 1985. 

The theory of chemical reactions has many facets iiicliidiiig elaborate qnaritiim mechanical scattering approaches that treat the kinetic energy of atoms by proper wave mechanical methods. These approaches to chemical reaction theory go far beyond the capabilities of a product like HyperChem as many of the ideas arc yet to have wide-spread practical im plemeiitation s. 

Fortunately, the theory of chemical reaction s n eed not always require such sophistication. In deed, sin cc n ticlel (atom s) arc m tich heavier than electrons vou can use classical mechanics lo tindcr-... 

P. J. Kuntz, Theory of Chemical Reaction Dynamics Vol I M. Baer Ed. 71, CRC Boca Ratan, EL (1985). 

J. T. Hynes, Theory of Chemical Reaction Dynamics Volume IV B. Bauer, Ed., 171, CRC, Boca Raton (1985). 

K. J. Laidler, Theory of Chemical Reaction Rates, McGraw-Hill, New kbik, 1969. 

Laidler, K.J. Theories of Chemical Reaction Rates McGraw-Hill New York. 1969. 

North, A. M. (1964) The Collision Theory of Chemical Reactions in Liquids. Methuen, London [3.3]. 

FIGURE 13.25 (a) In the collision theory of chemical reactions, reaction may take place only when two molecules collide with a kinetic energy at least equal to a minimum value, /rmn (which later we identify with the activation energy), (b) Otherwise, they simply bounce apart. 

The activated complex can be described as involving resonance of the fourth bond of carbon between the hydroxyl and iodine ions. Some very interesting rough quantum-mechanical calculations bearing on the theory of chemical reactions have been made of Eyring and Polanyi and their collaborators. It is to be hoped that the quantitative treatments can be made more precise and more-reliable but before this can be done effectively there must take place the extensive development of the qualitative theory of chemical reactions, probably in terms of resonance. 

In addition to the magnetic differences between the deuteron and proton, however, their mass difference may also cause observable effects. A well known example is found in the theory of chemical reactions, where the so called kinetic isotope effects (KIE s) are an important source of information about reaction mechanisms. Also in the field of ESR, such effects may arise, although these have been much less studied than the KIE s. 

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