Chemistry from First Principles

Front Cover
Springer Science & Business Media, Sep 11, 2008 - Science - 321 pages

The book consists of two parts: A summary and critical examination of chemical theory as it developed from early beginnings through the dramatic events of the twentieth century, and a reconstruction based on a re-interpretation of the three seminal theories of periodicity, relativity and quantum mechanics in chemical context.

Anticipating the final conclusion that matter and energy are special configurations of space-time, the investigation starts with the topic of relativity, the only theory that has a direct bearing on the topology of space-time and which demonstrates the equivalence of energy and matter and a reciprocal relationship between matter and the curvature of space.

Re-examination of the first quantitative model of the atom, proposed by Bohr, reveals that this theory was abandoned before it had received the attention it deserved. It provided a natural explanation of the Balmer formula that firmly established number as a fundamental parameter in science, rationalized the interaction between radiation and matter, defined the unit of electronic magnetism and produced the fine-structure constant. These are not accidental achievements and in reworking the model it is shown, after all, to be compatible with the theory of angular momentum, on the basis of which it was first rejected with unbecoming haste.

The Sommerfeld extension of the Bohr model was based on more general quantization rules and, although more successful at the time, is demonstrated to have introduced the red herring of tetrahedrally directed elliptic orbits, which still haunts most models of chemical bonding. The gestation period between Bohr and the formulation of quantum mechanics was dominated by the discovery and recognition of wave phenomena in theories of matter, to the extent that all formulations of the quantum theory developed from the same classical-mechanical background and the Hamiltonian description of multiply-periodic systems. The reasons for the fierce debates on the interpretation of phenomena such as quantum jumps and wave models of the atom are discussed in the context of later developments. The successful, but unreasonable, suppression of the Schrodinger, Madelung and Bohm interpretations of quantum theory is shown not to have served chemistry well. The inflated claims about uniqueness of quantum systems created a mystique that continues to frighten students of chemistry. Unreasonable models of electrons, atoms and molecules have alienated chemists from their roots, paying lip service to borrowed concepts such as measurement problems, quantum uncertainty, lack of reality, quantum logic, probability density and other ghostlike phenomena without any relevance in chemistry. In fact, classical and non-classical systems are closely linked through concepts such as wave motion, quantum potential and dynamic variables.

The second part of the book re-examines the traditional concepts of chemistry against the background of physical theories adapted for chemistry. An alternative theory is formulated from the recognition that the processes of chemistry happen in crowded environments that promote activated states of matter. Compressive activation, modelled by the methods of Hartree-Fock-Slater atomic structure simulation, leads to an understanding of elemental periodicity, the electronegativity function and covalence as a manifestation of space-time structure and the golden ratio. Molecular structure and shape are related to orbital angular momentum and chemical change is shown to be dictated by the quantum potential. The empirical parameters used in computer simulations such as molecular mechanics and dynamics are shown to derive in a fundamental way from the relationship between covalence and the golden ratio, which also explains the physical basis of Pauli’s exclusion principle for the first time.

 

What people are saying - Write a review

We haven't found any reviews in the usual places.

Contents

II
3
III
9
IV
10
V
11
VI
12
VII
19
VIII
22
IX
27
LXXVIII
150
LXXIX
151
LXXX
152
LXXXI
153
LXXXII
156
LXXXIII
159
LXXXIV
163
LXXXV
165

X
31
XII
32
XIII
33
XIV
35
XV
37
XVI
39
XVII
41
XIX
45
XX
47
XXI
48
XXII
49
XXIV
50
XXV
52
XXVI
54
XXVII
56
XXVIII
57
XXIX
59
XXXI
60
XXXII
61
XXXIII
65
XXXIV
66
XXXV
67
XXXVI
68
XXXVII
69
XXXVIII
73
XXXIX
74
XL
81
XLI
85
XLII
86
XLIV
89
XLV
90
XLVI
94
XLVII
95
XLVIII
98
XLIX
101
L
103
LI
104
LII
106
LIII
107
LIV
109
LV
110
LVI
113
LVII
115
LVIII
116
LX
117
LXI
118
LXII
120
LXIII
122
LXIV
124
LXV
125
LXVI
127
LXVII
129
LXVIII
130
LXIX
132
LXX
135
LXXI
139
LXXII
140
LXXIII
141
LXXIV
144
LXXVI
146
LXXVII
149
LXXXVI
170
LXXXVII
171
LXXXVIII
174
LXXXIX
177
XC
179
XCI
182
XCII
183
XCIII
185
XCIV
196
XCV
203
XCVI
205
XCVII
207
XCIX
208
C
212
CII
215
CIV
223
CV
224
CVI
230
CVII
231
CVIII
234
CIX
239
CX
241
CXI
243
CXII
245
CXIII
246
CXIV
249
CXVI
250
CXVII
253
CXVIII
254
CXIX
255
CXX
257
CXXI
259
CXXII
261
CXXIII
262
CXXIV
263
CXXV
265
CXXVI
266
CXXVII
268
CXXVIII
269
CXXIX
270
CXXX
271
CXXXI
272
CXXXII
273
CXXXIII
274
CXXXIV
275
CXXXV
276
CXXXVI
277
CXXXVII
278
CXXXVIII
279
CXL
280
CXLI
281
CXLII
282
CXLIII
285
CXLV
288
CXLVI
289
CXLVII
290
CXLVIII
291
CLI
293
CLII
299
Copyright

Other editions - View all

Common terms and phrases

Bibliographic information