GENERALIZED RELATIONSHIP FOR CALCULATION OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS BETWEEN DIRECTLY BONDED CARBON AND HYDROGEN-ATOMS

Authors
ZHAN CG HU ZM
Citation
Cg. Zhan et Zm. Hu, GENERALIZED RELATIONSHIP FOR CALCULATION OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS BETWEEN DIRECTLY BONDED CARBON AND HYDROGEN-ATOMS, Magnetic resonance in chemistry, 32(8), 1994, pp. 465-467
Citations number
34
Categorie Soggetti
Spectroscopy,Chemistry
Journal title
Magnetic resonance in chemistry → ACNP
ISSN journal
07491581
Volume
32
Issue
8
Year of publication
1994
Pages
465 - 467
Database
ISI
SICI code
0749-1581(1994)32:8<465:GRFCON>2.0.ZU;2-E
Abstract
A generalized relationship to describe bond coupling constants is intr oduced. This expression includes the contributions for hybrid orbitals and the net atomic charges. The resulting expression provides an exce llent description of directly bonded C-H coupling constants. This equa tion is suitable both for hydrocarbons and for molecules with -I+ and -I- substituents.