CONTENTS

KEEPING IT SIMPLE SCIENCE………………………………………..… 1
THE BINARY MOLE……………………………………………………..… 3
RADIOACTIVITY – ATOMIC ALARM CLOCKS……………………..… 5
TUNNELING – A TIME PHENOMENON……………………………...… 9
DISCUSSION………………………………………………………….……….. 9 THE CASE OF THE PARTICLE IN THE BOX………………………….….. 9 THE CASE OF THE MISTAKEN MECHANISM……………….…………… 10 COMMENTS………………………………………………………….………… 11 GRAVITY SIMPLIFIED…………………………………………………..… 13
DISCUSSION…………………………………………………………………… 13 THE ELECTRONIC STRUCTURE OF ATOMS………………………… 15
INTRODUCTION…………………………………………………………..…… 15 PREFACE……………………………………………………………….……… 16 MODELING THE MCAS WAY………………………………………….… 17
INTRODUCTION………………………………………………………………. 17 ORBITALS THE MCAS WAY………………………………………….…….. 18 BULLIES, WIMPS, and THE REST………………………………….……… 21 SINGLE BONDS……………………………………………………………..… 21 A. HYDROGEN MOLECULE……………………………………………..……… 21 B. CHLORINE MOLECULE……………………………………………..……….. 25 C. THE SIMPLE ALKANES…………………………………………………..…… 26 TRIPLE-BONDED Molecules………………………………………...…….. 27 A. ACETYLENE (ETHYNE)……………………………………………………… 27 B. NITROGEN MOLECULE………………………………………………………. 28 C. NITRIC OXIDE……………………………………………………………………. 28 D. OXYGEN ………………………………………………………………………… 29 E. CARBON MONOXIDE AND CYANIDE ION …………………………………. 30 SIMPLE DOUBLE BONDS …………………………………………………… 30 A. THE Π| AND Π_ BOND CONCEPT .………………………………………… 31 B. OXYGEN-OXYGEN ..……………………………………………………………. 31 C. CARBON-CARBON ……………………………………………………………. 31 1. Ethene …………………………………………………………………………. 31 2. Allene and 1,3--Butadiene .………………………………………………… 32 D. CARBON-OXYGEN ……….…………………………………………………… 33 MULTIPLE BONDS …………………………………………………………..… 33 A. THE T12-ORBITAL ELECTRON CONFIGURATION
FOR Π| AND Π_ BOND CONCEPT ……………………….. 33 B. AROMATICITY ……..………………………………………………………………. 35 1. Benzene and Naphthalene …………………………………………………. 35 2. The 2(2n+2) Rule of Aromaticity …..……………………………………… 36 3. Graphite ……………………………………………………………………….. 37 MISCELLANEOUS COMPOUNDS .……………………………………...….. 37 A. ISOELECTRIC CARBONATE, NITRATE, AND SULFUR TRIOXIDE ……. 38 B. PHOSPHOROUS AND ITS OXIDES …………………………………………. 38 C. SOME DIBORANES ...…………………………………………………………. 40 SUMMARY…………………………………………………………………...….. 41 ELECTROSTATICS OF MCAS MOLECULES………………………..… 43
INTRODUCTION………………………………………………………………… 43 CUBE versus SPHERE…………………………………………………...…… 43 THE SIMPLE SIGMA-XI BOND……………………………………..………… 45 ELECTROSTATIC CALCULATIONS…………………………..……………. 47 ELECTROSTATIC PLOTS………………………...…………………………... 49 A. Hydrogen Molecule……………………………………………………………… 49 B. Carbon Diatom…………………………………………………………….……… 54 C. Nitrogen Molecule……………………………………………………………….. 55 D. Oxygen Molecule…………………………………………………………….…… 57 E. Fluorine Molecule…………………………………………………………….….. 58 F. Neon Atom………………………………………………………………..……….. 60 PNMR SHIFTS AND FIELD INTENSITY…………………………….……….. 60 SUMMARY…………………………………………………………………………………. 62 QUANTUM ASPECTS…………………………………………………..… 63
ONE ELECTRON PER ORBITAL – PAULI………………………………… 63 MCAS QUANTUM NUMBERS……………………………………………….. 65 NO NEED FOR PARTICLE THEORIES?…………………………………… 67 REACTIONS THE MCAS WAY…………………………………………… 69
MODELS and REACTION PATHS………………………………………..… 69 A. MCAS MODELS OF SEVERAL ATOMS…………………………………… 69
B. MCAS vs CURRENT MODEL OF METHYL FLUORIDE………………….. 69
C. MICROSCOPIC REVERSIBILITY IS NOT………………………………….. 71
SN2 REACTIONS THE MCAS WAY………………………………………… 72 ELECTROSTATICS OF METHYL FLUORIDE……………………………... 76 t-BUTYL HALIDES…………………………………………………………….. 79 SUMMARY……………………………………………………………………… 79 A YBCO SUPERCONDUCTOR AND CUBIC ATOMS……………..… 81
INTRODUCTION………………………………………………………………. 81 YBa2Cu3O7 CRYSTAL STRUCTURE……………………………………….. 81 MCAS ATOMIC CONFIGURATION…………………………………………. 83 FREE FLOW OF ELECTRONS………………………………………………. 85 LIMITS ON CONDUCTION……………………………………………………. 87 COMMENTS…………………………………………………………………….. 88 THE DELTA STATE OF SUPERCRITICAL FLUIDS…………………… 89
INTRODUCTION……………………………………………………………….. 89 TEST CELL AND METHODOLOGY…………………………………………. 91 RESULTS………………………………………………………………………... 92 DISCUSSION……………………………………………………………………. 94 THAT ANOMALOUSLY HIGH SUPERCRITICAL FLUID HEAT CAPACITY PHENOMENON.…. 95 CO2 PHASE TRANSITIONS………………………………………………… 97 A MOLECULAR ASSOCIATION CONTINUUM……………………………. 98 THE DELTA STATE MODEL OF MOLECULAR CLUSTERING………… 100 THE DELTA STATES OF SOME REAL MOLECULES…………………… 100 COMMENTS ABOUT USING SUPERCRITICAL FLUIDS………………… 101 CONCLUSIONS………………………………………………………………… 102