Physical Chemistry 3: — Chemical Kinetics — - Christian-Albrechts ...

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4.7 NMR spectroscopy 87
4.8 Relaxation methods 88
4.9 Femtosecond spectroscopy 89
4.10 References 93
5 Collision theory 94
5.1 Hard sphere collision theory 95
5.1.1 The gas kinetic collision frequency 95
5.1.2 Allowance for a threshold energy for reaction 99
5.1.3 Allowance for steric hindrance 100
5.2 Kinetic gas theory 101
5.2.1 The Maxwell-Boltzmann speed distributions of gas molecules in 1D and 3D 101
5.2.2 The rate of wall collisions in 3D 106
5.3 Transport processes in gases 110
5.3.1 The general transport equation 110
5.3.2 Diffusion 112
5.3.3 Heat conduction 113
5.3.4 Viscosity 114
5.4 Advanced collision theory 115
5.4.1 Fundamental equation for reactive scattering in crossed molecular beams 116
5.4.2 Crossed molecular beam experiments 117
5.4.3 From differential cross sections () to reaction rate constants ( ) 120
5.4.4 Laplace transforms in chemistry 121
5.4.5 Bimolecular rate constants from collision theory 123
5.4.6 Long-range intermolecular interactions 132
6 Potential energy surfaces for chemical reactions 138
6.1 Diatomic molecules 138
6.2 Polyatomic molecules 139
6.3 Trajectory Calculations 143
7 Transition state theory 146
7.1 Foundations of transition state theory 146
7.1.1 Basic assumptions of TST 147