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.
引用
收藏
页码：2025 / 2026
页数：2
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