Deuterium isotope effects on P-31 NMR parameters: Hydrogen bonding in a solid urea phosphoric acid adduct

被引：9

作者：

Lagier, CM ^{[1
]}

Apperley, DC ^{[1
]}

Scheler, U ^{[1
]}

Olivieri, AC ^{[1
]}

Harris, RK ^{[1
]}

机构：

[1] UNIV DURHAM, DEPT CHEM, DURHAM DH1 3LE, ENGLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1996年 / 92卷 / 24期

关键词：

D O I：

10.1039/ft9969205047

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Long-range deuterium isotope effects on the P-31 NMR shielding tensor were studied for the perdeuteriated urea-phosphoric acid adduct (ND2)(2)CO . D3PO4. This complex contains a short hydrogen bond linking its molecular components, for which a single-minimum potential energy well has been suggested. The results indicate that (sigma(11) - sigma(iso)) decreases and (sigma(33) - sigma(iso)) increases for the deuteriated complex with respect to the undeuteriated adduct. This fact is consistent with the hypothesis of a single-minimum potential energy surface for the short hydrogen bond.

引用

页码：5047 / 5050

页数：4

共 35 条

[1] PROTON, DEUTERIUM, AND TRITIUM NUCLEAR MAGNETIC-RESONANCE OF INTRA-MOLECULAR HYDROGEN-BONDS - ISOTOPE EFFECTS AND SHAPE OF POTENTIAL-ENERGY FUNCTION [J].