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Institute Of Theoretical Chemistry

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Table of Contents
1.	Introduction
1.1.	Why This Book Is Necessary	1
1.2.	Questions Which the Book Answers	4
1.3.	Whom the Book Is Intended For	5
2.	How Chemical Bonds Form	6
2.1.	Historic Review of Scientific Works	6
2.1.1.	Works up to 1913	6
2.1.2.	Works from 1913 to 1970	8
2.1.3.	Works from 1970 to 1994	15
2.2.	Explanation of the Nature of Chemical Bonding	19
2.2.1.	How the Atom Is Constructed	19
2.3.	Forces Which Bond Atoms into Molecules	23
2.3.1.	What Was the Main Problem in Chemical Bonding?	23
2.4.	The G Theory of Chemical Bonding	26
2.4.1.	Qualitative Descriptions of the Physical Nature of the Enthalpy Factor	26
2.5.	Quantitative Evaluation of Chemical Bonding Energy	30
2.5.1.	Quantitative Evaluation of the Enthalpy Contribution	30
2.5.1.1.	Models and Mathematical Equations	30
2.5.2.	Quantitative Evaluation of Entropy Contribution	37
2.5.3.	Quantitative Energy Calculations of Homo-atomic Covalent Bonding (Based on Model)	45
2.5.3.1.	Comparison of Calculated and Experimental Data	48
2.5.3.2.	Quantitative Calculations of Energy in Hetero-atomic Covalent Bonding	50
2.5.3.3.	Comparison of Calculated and Experimental Data	54
2.5.4.	Multiple Bonds	68
2.5.5.	Conclusion	70
2.6.	First Addition to the G Theory of Chemical Bonding	72
2.6.1.	Valence Rules	87
2.6.2.	Donor-Acceptor Bonds (DAB)	87
2.6.3.	Van der Waals Bonds (VWB)	92
2.7.	Second Addition to the G Theory of Chemical Bonding	93
2.7.1.	Electronic Transition Reactions	96
2.8.	Three-Dimensional Structures of Chemical Compounds	103
3.	How Chemical Reactions Proceed	107
3.1.	Brief Historic Review	107
3.1.1.	Theory of Active Collisions (TAC)	107
3.1.2.	Transition State Theory (TST)	110
3.2.	Theory of Elementary Interactions (TEI)	114
3.2.1.	Association Reactions (AR)	114
3.2.2.	Dissociation Reactions (DR)	117
3.2.3.	Association-Dissociation Reactions (ADR)	117
3.2.4.	Electronic Transition Reactions (ETR)	121
3.3.	Radical Reactions	125
3.3.1.	Formation of Radicals	125
3.3.2.	Interaction of Atomic Bromine with Iodine	125
3.3.3.	Interaction of HO Radical with Carbon Oxide	125
3.3.4.	Interaction of Hydrogen and Iodine	129
3.3.5.	Interaction Between D2 and HCl	132
3.3.6.	Interaction of Hydrogen with Oxygen	136
3.3.7.	Chemically Activated Reactions	136
3.4.	Ionic Reactions	138
3.4.1.	Formation of Ions	138
3.4.2.	Interaction of Positive Ions with Molecules	139
3.4.3.	Interaction of Positive Ions	143
3.4.3.1.	Oxidation-Reduction (Redox) Reactions	143
3.4.4.	Interaction of Negative Ions with Saturated Molecules	144
3.4.4.1.	Nucleophile Substitution Reactions	144
3.5.	Conence Reactions	147
3.5.1.	Conence Formation	148
3.5.2.	Substitution and Ligand Exchange Reactions	149
3.5.3.	Ligand Introduction Reactions	154
3.5.4.	Reduction Elimination Reactions	156
3.5.5.	Oxidation-Reduction (Redox) Reactions in Conence Compounds	156
3.6.	Additions to Alkenes	157
3.7.	Molecular Reactions	159
3.8.	Basic Kinetic Correlations in Chemical Reactions	160
3.9.	General Explanation of Catalysis	165
4.	Physical and Chemical Properties of Substances	169
4.1.	Physical Properties of Substances	169
4.2.	Chemical Properties of Substances	181
	Summary	185
	Theory of Chemical Bonding and Chemical Structure	185
	Theory of Chemical Reactions	190
	Supplement I
	A New Approach to Chemical Mechanics (First Report)	200
	A New General Approach to Chemical Mechanics (Second Report)	209
	General Theory of Chemical Bonding, Kinetics and Catalysis	218
	Chapters from A New General Theory of Chemical Bonding, Kinetics, and Catalysis	241
	On the General Theory of Chemical Bonding and Chemical Kinetics	249
	Theory of Chemical Bonding	252
	Basic Kinetic Regularities in the Light of the New Approach	266
	General Catalysis Theory	272
	Summary	280
	On the Nature of Covalent Chemical Bonding	289
	Positive Charge Concentration Decrease in the Process of Dissociation	290
	Compensation of Entropy Decrease	282
	Conclusion	286
	Brief Phenomenological Explanation Concerning Atom Structure, Chemical Bonding, and Chemical Reactions	306
	Atom Structure	306
	Conclusion	308
	Molecule Structure; Chemical Bonding	309
	Chemical Reactions and Catalysis	311
	Evaluation of Precision in Calculating the Enthalpy of a Hydrogen Molecule	322
	Once Again on the Problem Concerning the Physical Nature of Chemical Bonding	327
	Theory of Heat Capacity	342
	Theory of Electronic Spectra in Molecules	344
	On the Contemporary State of Works about the Theory of Chemical Reactions	346
	Notes for the Teacher	355
	Supplement II
	A New General Theory of Chemical Kinetics and Catalysis (Report XXIII)	359
	A New General Theory of Chemical Kinetics and Catalysis (Report XXIV)	371
	Concerning Mass and Wave Characteristics of Particles	388
	About Quantum Mechanics	404
	Once Again on Physics	408
	Gravitation	414
	Inertia	414
	Transition of Mass into Energy and Internuclear Forces	415
	Force FAS (F - force and S - entropy)	419
	About the Wave Properties of Micro-Particles	420
	General Conclusions	429
	The Main Points in Chemistry that Offered New Results	430
	Theory of Chemical Bonding and Chemical Structure	430
	Theory of Chemical Reactions	435
	The Main Points in Physics that Offered New Results	437
	The Physical Nature of Chemical Bonding	439
	Explanation about the Molecular Electronic Spectra	441
	Unified interpretation of the physical nature of gravitational, inertial, electrostatic, electrodynamic, and strong inter-nuclear forces.	442
	Elucidation of the electrical nature of mass and its exclusion from the category of independent essences.	442
	Transition from mechanical interpretations to unified electro-thermo-dynamic interpretations of the physical nature of the world	443
	The Main Novelties of Scientific Methodology	449
	Calculations, Hypotheses, and Experiments in Theory	449
	Transformation of Chemical and Physical Education	450

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