Natural bond orbital dissection of fluorine-fluorine through-space NMR coupling (JF,F) in polycyclic organic molecules

被引：63

作者：

Peralta, JE

Conteras, RH ^{[1
]}

Snyder, JP

机构：

[1] Univ Buenos Aires, Fac Ciencias Exactas & Nat, Dept Fis, RA-1428 Buenos Aires, DF, Argentina

[2] Emory Univ, Dept Chem, Atlanta, GA 30322 USA

来源：

CHEMICAL COMMUNICATIONS | 2000年 / 20期

关键词：

D O I：

10.1039/b006283i

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A new approach to deconvolute DFT and ab initio Fermi contact-derived NMR coupling constants into conceptually familiar localized orbital contributions (NJC analysis) is exemplified by analysis of through-space J(F,F) couplings in a few illustrative cases.

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收藏

页码：2025 / 2026

页数：2

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