CCC bond angle dependence of one bond 13C13C coupling constants

Martin Pomerantz; Shmuel Bittner

doi:10.1016/S0040-4039(00)81312-X

CCC bond angle dependence of one bond ¹³C¹³C coupling constants

Martin Pomerantz, Shmuel Bittner

Department of Chemistry

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Abstract

It has been observed that one-bond ¹³C¹³C coupling constants are almost invariant with CC bond angles between tetrahedral and 127° for hydrocarbons where the central atom is a CH₂ group. An empirical quadratic equation is obtained which relates ¹J_CC with the internuclear CCC angle, θ.

Original language	English
Pages (from-to)	7-10
Number of pages	4
Journal	Tetrahedron Letters
Volume	24
Issue number	1
DOIs	https://doi.org/10.1016/S0040-4039(00)81312-X
State	Published - 1 Jan 1983

ASJC Scopus subject areas

Biochemistry
Drug Discovery
Organic Chemistry

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10.1016/S0040-4039(00)81312-X

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title = "CCC bond angle dependence of one bond 13C13C coupling constants",

abstract = "It has been observed that one-bond 13C13C coupling constants are almost invariant with CC bond angles between tetrahedral and 127° for hydrocarbons where the central atom is a CH2 group. An empirical quadratic equation is obtained which relates 1JCC with the internuclear CCC angle, θ.",

author = "Martin Pomerantz and Shmuel Bittner",

year = "1983",

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doi = "10.1016/S0040-4039(00)81312-X",

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AU - Pomerantz, Martin

AU - Bittner, Shmuel

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N2 - It has been observed that one-bond 13C13C coupling constants are almost invariant with CC bond angles between tetrahedral and 127° for hydrocarbons where the central atom is a CH2 group. An empirical quadratic equation is obtained which relates 1JCC with the internuclear CCC angle, θ.

AB - It has been observed that one-bond 13C13C coupling constants are almost invariant with CC bond angles between tetrahedral and 127° for hydrocarbons where the central atom is a CH2 group. An empirical quadratic equation is obtained which relates 1JCC with the internuclear CCC angle, θ.

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U2 - 10.1016/S0040-4039(00)81312-X

DO - 10.1016/S0040-4039(00)81312-X

M3 - Article

AN - SCOPUS:0342951449

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JO - Tetrahedron Letters

JF - Tetrahedron Letters

SN - 0040-4039

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ER -

CCC bond angle dependence of one bond ¹³C¹³C coupling constants

Abstract

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