Generalized relationship for calculation of nuclear spin—spin coupling constants between directly bonded carbon and hydrogen atoms

Chang‐Guo ‐G Zhan, Zhen‐Min ‐M Hu

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

A generalized relationship to describe bond coupling constants is introduced. This expression includes the contributions for hybrid orbitals and the net atomic charges. The resulting expression provides an excellent description of directly bonded CH coupling constants. This equation is suitable both for hydrocarbons and for molecules with I+ and I substituents.

Original languageEnglish
Pages (from-to)465-467
Number of pages3
JournalMagnetic Resonance in Chemistry
Volume32
Issue number8
DOIs
StatePublished - Aug 1994

Keywords

  • Hybrid orbital
  • Maximum bond order hybrid orbital
  • NMR
  • Net atomic charge
  • Nuclear spin‐spin coupling constant

ASJC Scopus subject areas

  • Chemistry (all)
  • Materials Science (all)

Fingerprint

Dive into the research topics of 'Generalized relationship for calculation of nuclear spin—spin coupling constants between directly bonded carbon and hydrogen atoms'. Together they form a unique fingerprint.

Cite this