Isotope effect on chemical shifts in hydrogen-bonded systems

被引：24

作者：

Hansen, Poul Erik ^{[1
]}

机构：

[1] Roskilde Univ, Dept Sci Syst & Models, DK-4000 Roskilde, Denmark

来源：

JOURNAL OF LABELLED COMPOUNDS & RADIOPHARMACEUTICALS | 2007年 / 50卷 / 11-12期

关键词：

deuterium isotope effects; chemical shifts; intramolecularly hydrogen-bonded systems; theoretical calculations; C-13; N-15; Intrinsic isotope effects; equilibrium isotope effects;

D O I：

10.1002/jlcr.1440

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

An overview of recent developments in the use of isotope effects in hydrogen-bonded systems with special emphasis on intramolecular hydrogen bonding is given. The systems investigated cover both resonance-assisted hydrogen bonded (RAHB) and non-RAHB systems. Deuterium isotope effects on C-13 chemical shifts are discussed extensively together with effects on H-1, F-19 and N-15 chemical shifts. The compounds cover a large range from hydrogen-bonded esters over amides, thioamides, Schiff bases also covering proteins, nucleic acids and carbohydrates. Isotope effects are discussed both in static and tautomeric systems and in the liquid and solid states. Theoretical approaches to isotope effects on chemical shifts are likewise treated. Copyright (c) 2007 John Wiley & Sons, Ltd.

引用

页码：967 / 981

页数：15

共 82 条

[1] Unraveling the electronic and vibrational contributions to deuterium isotope effects on 13C chemical shifts using ab initio model calculations.: Analysis of the observed isotope effects on sterically perturbed intramolecular hydrogen-bonded o-hydroxy acyl aromatics [J].

Abildgaard, J ;

Bolvig, S ;

Hansen, PE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (35) :9063-9069

[2]

ABILDGAARD J, UNPUB J AM CHEM SOC

[3] Fomenting proton anisochronicity in the CH2D group [J].

Allen, BD ;

O'Leary, DJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2003, 125 (30) :9018-9019

[4] Variable temperature 1H and 13C NMR spectroscopic investigation of the enol-enethiol tautomerism of β-thioxoketones.: Isotope effects due to deuteron chelation [J].

Andresen, B ;

Duus, F ;

Bolvig, S ;

Hansen, PE .

JOURNAL OF MOLECULAR STRUCTURE, 2000, 552 :45-62

[5] Solid state 15N NMR and theoretical studies of primary and secondary geometric H/D isotope effects on low-barrier NHN-hydrogen bonds [J].

Benedict, H ;

Limbach, HH ;

Wehlan, M ;

Fehlhammer, WP ;

Golubev, NS ;

Janoschek, R .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (12) :2939-2950

[6] Deuterium isotope effects on 17O chemical shifts of intramolecularly hydrogen bonded systems [J].

Bolvig, S ;

Hansen, PE ;

Wemmer, D ;

Williams, P .

JOURNAL OF MOLECULAR STRUCTURE, 1999, 509 (1-3) :171-181

[7]

Bolvig S, 1996, MAGN RESON CHEM, V34, P467

[8]

Bolvig S, 2000, MAGN RESON CHEM, V38, P525, DOI 10.1002/1097-458X(200007)38:7<525::AID-MRC663>3.3.CO

[9]

2-J

[10] Isotope effects on chemical shifts as an analytical tool in structural studies of intramolecular hydrogen bonded compounds [J].

Bolvig, S ;

Hansen, PE .

CURRENT ORGANIC CHEMISTRY, 2000, 4 (01) :19-54

← 1 2 3 4 5 6 7 8 9 →