VALENCE BOND STUDIES OF THE DEPENDENCE UPON SUBSTITUENTS OF C13-H AND SI29-H COUPLING
Abstract
An interpretation is presented for the additivity of substituent effects on the C-13-H coupling constant. Each atom of group X is assigned a characteristic affinity for a character in the carbon hybrid orbital of the C-X bond. Distribution of s character among the C orbitals in accord with the relative s affinities of the four substituents leads to the observed additivity relation provided that the total s character is conserved. The valence bond approach used with this model gives a linear relation between the s character of the carbon hybrid orbital involved in the C-H bond and the observed C-13-H coupling constant. Also, it allows the determination of the s character of the other C orbitals. The dependence of the s character of the C-X bond on the electronegativity of X is discussed in terms of electron spin and charge correlation. The treatment developed for methanes was extended to the coupling constant in substituted ethylenes and to the Si-29-H coupling in silanes. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- May 17, 1962
- Accession Number
- AD0277921
Entities
People
- Cynthia Juan
- Herbert S. Gutowsky
Organizations
- University of Illinois Urbana–Champaign