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

doi:10.1002/mrc.1260320806

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

Pharmaceutical Sciences

Research output: Contribution to journal › Article › peer-review

14 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 language	English
Pages (from-to)	465-467
Number of pages	3
Journal	Magnetic Resonance in Chemistry
Volume	32
Issue number	8
DOIs	https://doi.org/10.1002/mrc.1260320806
State	Published - Aug 1994

Keywords

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

ASJC Scopus subject areas

General Chemistry
General Materials Science

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10.1002/mrc.1260320806

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

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.",

keywords = "Hybrid orbital, Maximum bond order hybrid orbital, NMR, Net atomic charge, Nuclear spin‐spin coupling constant",

author = "Zhan, {Chang‐Guo ‐G} and Hu, {Zhen‐Min ‐M}",

year = "1994",

month = aug,

doi = "10.1002/mrc.1260320806",

language = "English",

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pages = "465--467",

number = "8",

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T1 - Generalized relationship for calculation of nuclear spin—spin coupling constants between directly bonded carbon and hydrogen atoms

AU - Zhan, Chang‐Guo ‐G

AU - Hu, Zhen‐Min ‐M

PY - 1994/8

Y1 - 1994/8

N2 - 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.

AB - 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.

KW - Hybrid orbital

KW - Maximum bond order hybrid orbital

KW - NMR

KW - Net atomic charge

KW - Nuclear spin‐spin coupling constant

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U2 - 10.1002/mrc.1260320806

DO - 10.1002/mrc.1260320806

M3 - Article

AN - SCOPUS:84989011364

SN - 0749-1581

VL - 32

SP - 465

EP - 467

JO - Magnetic Resonance in Chemistry

JF - Magnetic Resonance in Chemistry

IS - 8

ER -

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

Abstract

Keywords

ASJC Scopus subject areas

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