ABSTRACT
Abstract ................................................................................................... 94 2.1 Introduction .................................................................................... 94 2.2 Inter-Atomic Vibration, Interaction, and Bonding Localization .... 97 2.2.1 Harmonic Oscillator in Biatomic (H2) Molecule ............... 97 2.2.2 Van Der Waals Biatomic (He-He) Interaction .................... 99 2.2.3 Orbital vs. Density Electronic Localization in Bonding .. 103 2.3 Molecular Structure by Symmetry Analysis .................................111 2.3.1 Molecular Symmetry Groups ............................................111 2.3.1.1 Symmetry Elements and Operations ..................111 2.3.1.2 Building the Symmetry Groups ......................... 125 2.3.2 Symmetry Adapted Linear Combinations
(SALC) Wave Functions .................................................. 142 2.3.3 Linear Combinations of Atomic Orbitals
(LCAO): Hückel Approximation ..................................... 153 2.4 Atoms-in-Molecule Coordination by Crystaline
Fields’ Analysis ............................................................................ 159 2.4.1 The Separation Origin of the Four-Lobed Orbitals .......... 159 2.4.2 The Quantum Model of the Crystal Field ........................ 170 2.4.3 Multi-Electronic Orbitals in the Crystal Field ................. 180 2.5 Molecular Coordinative Complexes by Ligand
Fields’ Analysis ............................................................................ 196 2.6 VSEPR Model of Chemical Bond ............................................... 205
2.7 Conclusion ................................................................................... 215 Keywords .............................................................................................. 217 References ............................................................................................. 217 Author’s Main References ........................................................... 217 Specific References ...................................................................... 218
ABSTRACT
The chemical bond is here modeled by employing the geometrical skeleton of the binding atoms in molecule, i.e., by the generated symmetry of molecule at its turn imposing the eigen-energetic terms associated and directly correlated with the symmetry basic elements and operations, further quantitatively realized/quantifies by allied matrices – elements of the symmetry group to which they belong; the quantum framework is then completed by means of the superposition principles applied to joint the symmetry of a given molecule with the overall eigen-energies, eventually related with the atomic orbitals, and of their repulsive and attractive influences in the crystal field and ligand field theories, respectively, toward considering the electronic pair at the lance shell as the main driving quantum entity in bonding, being this merely associate with a supra-quantum (geometrical) realization of chemical bond, thus complementing at the semi-classical level the previous developed theory of chemical bonding by bondons (by pairing electrons as bosons, with sub-quantum attractive behavior – see Chapter 1).
2.1 INTRODUCTION
