8. Molecule Projects 9. Foundations 10. DOWNLOADS & LINKS
9. Foundations of Coupling Diagrams
Fifty Years of Coupling Diagrams

Coupling diagrams were originated by William Goddard and co-workers c. 1970 and have appeared in a number of publications. This is a partial bibliography of early work and later work that developed the concept of recoupled pair bonding, which connects second row compounds such as the BHn and CHn series with third-row compounds such as SFn, ClFn, and PFn. Some representative images of coupling digrams are collected here to show how they have evolved with use.

Since these are copywrited articles, I am not making them available for download. I am providing DOIs and links to publication webpages (and can send pdf files on request).

Generalized Valence Bond Description of Bonding in Low-Lying States of Molecules
WA Goddard III, TH Dunning Jr., WJ Hunt, and PJ Hay. Acc Chem Res 6, 368, 1973.
DOI: 10.1021/ar50071a002
Adapted from Fig. 3
Adapted from Fig. 6
Generalized Valence Bond Calculations of the Ground State (X1Σ+g) of Nitrogen
TH Dunning Jr., DC Cartwright, WJ Hunt, PJ Hay, and FW Bobrowicz. J Chem Phys 64, 4755, 1976.
DOI: 10.1063/1.432062
Low-lying Electronic States of the Rare Gas Oxides
TH Dunning Jr and PJ Hay. J Chem Phys 66, 3767, 1977.
DOI: 10.1063/1.434369
The Description of Chemical Bonding from ab initio Calculations
WA Goddard III and LB Harding. Ann Rev Phys Chem 29, 363, 1978.
DOI: 10.1146/annurev.pc.29.100178.002051
A Comparison Between Polar Covalent Bonding and Hypervalent Recoupled Pair Bonding in Diatomic Chalcogen Halide Species {O,S,Se}x{F,Cl,Br}
DE Woon and TH Dunning Jr. Mol Phys 107, 991, 2009.
DOI: 10.1080/00268970802712431
Adapted from Fig. 1
Hypervalency and Recoupled Pair Bonding in the p-block Elements
DE Woon and TH Dunning Jr. Comp Theor Chem 963, 7, 2011.
DOI: 10.1016/j.comptc.2010.10.003
Adapted from Fig. 3
The First Row Anomaly and Recoupled Pair Bonding in the Halides of the Late p-Block Elements
TH Dunning Jr., DE Woon, J Leiding, and L Chen. Acc Chem Res 46, 359, 2013.
DOI: 10.1021/ar300154a
High Level ab initio Calculations on ClFn (n = 1-6): Recoupled Pair Bonding Involving a Closed-shell Central Ion
L Chen, DE Woon, and TH Dunning Jr. Comp Theor Chem 1116, 73, 2017.
DOI: 10.1016/j.comptc.2017.01.023
Adapted from Fig. 2

The final section provides downloads and links, as well as a list of lecture note topics that cover the use of glyphs in material about bonding and molecules.

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