Published January 26, 2021 | Version public
Book Section - Chapter

GVB Interpretations of Bonding and Reactions

  • 1. ROR icon California Institute of Technology

Abstract

As a graduate student (GS), I had worked out that the GVB wavefunction for CH₄ could lead to localized pairs of VB-like orbitals along each bond but the full wavefunction would still have Td symmetry. Also, I had shown that the GVB wavefunctions could dissociate properly as a bond is broken, going to atomic limits. However, I had not yet learned to program a computer, and indeed, I avoided reading any papers trying to do QM on materials because I had learned that they were completely useless. After joining the chemistry department in Nov. 1964 I learned how to program and over the next few years learned about bonding for main group and for bonds to metals. We also learned about mechanisms for reactions based on Valence Bond concepts. Ideas about resonance were worked out. For H₂ and He₂ we were able to get a VB view of all excited states. These ideas were extended later to compounds involving other main group elements and transition metal. However, for metallic materials such as Fe and brass, our methods are still deficient.

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© Springer Nature Switzerland AG 2021. First Online: 26 January 2021.

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Identifiers

Eprint ID
107746
Resolver ID
CaltechAUTHORS:20210127-072705338

Dates

Created
2021-01-27
Created from EPrint's datestamp field
Updated
2021-11-16
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Caltech Custom Metadata

Series Name
Springer Series in Materials Science
Series Volume or Issue Number
284
Other Numbering System Name
WAG
Other Numbering System Identifier
1436