Theoretical and Electrochemical Investigation of Electron Delocalization in Polysilane and Borazine Based Molecular SystemsUniversity of Wisconsin--Madison, 1989 - 502 pages |
Contents
Preface | 2 |
The Relationship Between Pertubation | 51 |
Natural Population Analysis | 59 |
10 other sections not shown
Common terms and phrases
ab-initio acceptor alkyl Amax antibond aryl B-N bond Benzene Derivatives bond lengths Bond Orbital Borazine and Benzene borazine derivatives calculations CHâ‚‚ CH2Cl2 solution Chapter Chem Chemistry coefficients Cyclic voltammogram Delocalization Interaction destabilizing dihedral angle donor electrochemical electron delocalization electron density electron transfer electronic structure Energy Level Diagram Eonset equation Et4NBF4 experimental Fock matrix H H H Hartree-Fock HOMO Vertical IP hybrids Ionization Potentials kcal/mole Koopmans Lewis structure linear lone pair Macromolecules measured in 0.1 Methyl Miller model compounds molecule Monosubstituted Borazines mV/s NBO analysis NBO method non-Lewis oligomers Oxidation Peak Height oxidation potentials Peak Current Density perturbative Phys polarity poly(phenylmethylsilane polymer polysilane polysilane derivatives polysilane oligomers polyvinylferrocene relative resonance Sandorfy scan rate shown in Figure silane Sisi solution oxidation studies substituent Substituted Borazine symmetry Table taken from reference TB(o Through-Bond total energy values voltages wavefunction Weinhold Wurtz coupling