Molecular Reaction DynamicsCambridge University Press, 04.06.2009 Molecular reaction dynamics is the study of chemical and physical transformations of matter at the molecular level. The understanding of how chemical reactions occur and how to control them is fundamental to chemists and interdisciplinary areas such as materials and nanoscience, rational drug design, environmental and astrochemistry. This book provides a thorough foundation to this area. The first half is introductory, detailing experimental techniques for initiating and probing reaction dynamics and the essential insights that have been gained. The second part explores key areas including photoselective chemistry, stereochemistry, chemical reactions in real time and chemical reaction dynamics in solutions and interfaces. Typical of the new challenges are molecular machines, enzyme action and molecular control. With problem sets included, this book is suitable for advanced undergraduate and graduate students, as well as being supplementary to chemical kinetics, physical chemistry, biophysics and materials science courses, and as a primer for practising scientists. |
Inhalt
| 1 | |
| 2 | |
| 4 | |
Units | 21 |
Problems | 23 |
Notes | 25 |
Molecular collisions | 30 |
21 Molecules have a finite size | 31 |
The picketfence model | 273 |
71 Laser photoexcitation and photodetection of diatomic molecules | 276 |
72 Photodissociation dynamics | 285 |
73 Bimolecular spectroscopy | 308 |
74 Quantum control | 318 |
Problems | 322 |
Notes | 326 |
Chemistry in real time | 332 |
22 The approach motion of molecules | 48 |
Problems | 67 |
Notes | 69 |
Introduction to reactive molecular collisions | 73 |
Reaction rate under nonequilibrium conditions | 81 |
32 Twobody microscopic dynamics of reactive collisions | 83 |
Dynamics in strong laser fields a curvecrossing picture | 99 |
Problems | 101 |
Notes | 106 |
Scattering as a probe of collision dynamics | 109 |
42 Elastic scattering as a probe of the interaction potential | 119 |
43 Elements of quantal scattering theory | 125 |
44 Angular distribution for reactive molecular collisions | 137 |
Problems | 144 |
Notes | 146 |
Introduction to polyatomic dynamics | 148 |
51 Potential energy functions and chemical reactions | 150 |
52 The classical trajectory approach to reaction dynamics | 170 |
Monte Carlo sampling | 176 |
53 Energy and dynamics of the chemical change | 179 |
Massweighted coordinate systems | 188 |
Problems | 191 |
Notes | 194 |
Structural considerations in the calculation of reaction rates | 199 |
the rate of barrier crossing | 200 |
Density of states and partition functions | 211 |
62 RRKM theory and the rate of unimolecular reactions | 213 |
63 Resolving final states and populations | 228 |
The quantitative representation of flux contour maps | 234 |
64 Characterization of energy disposal and energy requirements of chemical reactions | 237 |
Problems | 251 |
Notes | 255 |
Photoselective chemistry access to the transition state region | 262 |
81 Watching the breaking and making of chemical bonds | 335 |
82 Chemical transformations | 341 |
83 Control of chemical reactions with ultrashort pulses | 346 |
Problems | 350 |
Notes | 351 |
Statechanging collisions molecular energy transfer | 354 |
91 Vibrational energy transfer | 361 |
92 Understanding the essentials of energy transfer | 369 |
93 Electronic energy transfer | 375 |
Problems | 384 |
Notes | 389 |
Stereodynamics | 392 |
101 Controlling reagent approach geometry | 393 |
102 Analyzing product polarization | 400 |
103 Vector correlations | 417 |
Problems | 421 |
Notes | 423 |
Dynamics in the condensed phase | 425 |
111 Solvation | 428 |
112 Barriercrossing dynamics | 449 |
113 Interfaces | 457 |
114 Understanding chemical reactivity in solution | 462 |
Problems | 467 |
Notes | 470 |
Dynamics of gassurface interactions and reactions | 473 |
121 Surface scattering | 475 |
122 Dynamics on surfaces | 480 |
spatiotemporal aspects of surface reactivity | 489 |
Problems | 493 |
Notes | 496 |
Bibliography | 498 |
| 541 | |
Andere Ausgaben - Alle anzeigen
Häufige Begriffe und Wortgruppen
absorption adiabatic angle angular distribution angular momentum approach atom barrier beam bimolecular bond Chapter Chem chemical reactions chemistry classical trajectory collision energy compute configuration conical intersection crossing deflection degrees of freedom density dependence determined dipole direction discussed dissociation distance electronically excited emission energy transfer energy-rich equation example exoergic experimental flux force Franck-Condon frequency gas phase higher impact parameter interaction intermolecular internal ionization kinetic energy laser modes molecular motion nuclei orbital orientation particles photodissociation photon Phys polar potential energy surface probe Problem pulse quantum mechanical quantum number range reactants reaction coordinate reaction cross-section reaction dynamics reaction rate constant reactive collisions region relative velocity repulsive requires resonance result rotational RRKM scattering Section shown in Figure shows solution solvation solvent spectroscopy steric temperature threshold total energy transition state theory translational energy vector vibrational energy vibrationally excited wave function wave-packet
Beliebte Passagen
Seite 6 - DH Maylotte, JC Polanyi, and KB Woodall, J. Chem. Phys. 57, 1547 (1972).
Verweise auf dieses Buch
Chemical Kinetics and Catalysis R.A. van Santen,Hans (J.)W. Niemantsverdriet Keine Leseprobe verfügbar - 1995 |