Studies based on deuterium isotope effect on 13C chemical shifts

被引:59
作者
Dziembowska, T
Hansen, PE
Rozwadowski, Z
机构
[1] Tech Univ Szczecin, Inst Chem & Environm Protect, PL-70065 Szczecin, Poland
[2] Roskilde Univ, Dept Life Sci & Chem, DK-4000 Roskilde, Denmark
关键词
C-13 NMR spectroscopy; deuterium isotope effect on the chemical shift; structure studies; conformational analysis; hydrogen bonding; carbocations; biomolecule studies;
D O I
10.1016/j.pnmrs.2004.04.001
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
The deuterium isotope effects on the 13C chemical shifts and the electronic structure of the molecules, were analyzed. It was observed that the nuclear magnetic shielding depends on the vibrationally and rotationally averaged bond lengths and bond angles. The prerequisite for observing separate signals for the H- and the D species was to have slow exchange on the NMR time scale. Results show that the largest effects occurred in the bond in which the subsituted atom was directly involved.
引用
收藏
页码:1 / 29
页数:29
相关论文
共 210 条
[51]   CONFORMATIONAL-ANALYSIS VIA NMR ISOTOPE SHIFTS - SIDE-CHAIN EQUILIBRIA IN N-ALKYLPIPERIDINES [J].
FORSYTH, DA ;
PRAPANSIRI, V .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1989, 111 (13) :4548-4552
[52]  
FORSYTH DA, 1997, STABLE CARBOCATION C, P323
[53]  
FORSYTH DA, 1984, ISOT ORG CHEM, V6, P1
[54]   DYNAMICS OF SOLVATED LI+ WITHIN EXO,EXO-[1,3-BIS(TRIMETHYLSILYL)ALLYL]LITHIUM N,N,N',N'-TETRAMETHYLETHYLENEDIAMINE COMPLEX [J].
FRAENKEL, G ;
CHOW, A ;
WINCHESTER, WR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (04) :1382-1386
[55]   Hydrogen-bonding and conformation of agarose in methyl sulfoxide and aqueous solutions investigated by 1H and 13C NMR spectroscopy [J].
Gamini, A ;
Toffanin, R ;
Murano, E ;
Rizzo, R .
CARBOHYDRATE RESEARCH, 1997, 304 (3-4) :293-302
[56]   Production and incorporation of N-15, C-13, H-2 (H-1-delta 1 methyl) isoleucine into proteins for multidimensional NMR studies [J].
Gardner, KH ;
Kay, LE .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997, 119 (32) :7599-7600
[57]   The use of 2H, 13C, 15N multidimensional NMR to study the structure and dynamics of proteins [J].
Gardner, KH ;
Kay, LE .
ANNUAL REVIEW OF BIOPHYSICS AND BIOMOLECULAR STRUCTURE, 1998, 27 :357-406
[58]   Solution structure of the 30 kDa N-terminal domain of enzyme I of the Escherichia coli phosphoenolpyruvate:sugar phosphotransferase system by multidimensional NMR [J].
Garrett, DS ;
Seok, YJ ;
Liao, DI ;
Peterkofsky, A ;
Gronenborn, AM ;
Clore, GM .
BIOCHEMISTRY, 1997, 36 (09) :2517-2530
[59]   H-bonding in alcohols is reflected in the Cα-H bond strength:: Variation of C-D vibrational frequency and fractionation factor [J].
Gawlita, E ;
Lantz, M ;
Paneth, P ;
Bell, AF ;
Tonge, PJ ;
Anderson, VE .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (47) :11660-11669
[60]   NMR-STUDIES OF NUCLEIC-ACIDS - DEUTERIUM-ISOTOPE EFFECTS ON C-13 CHEMICAL-SHIFTS IN HYDROGEN-BONDED COMPLEXES OF PYRIMIDINES AND PURINES [J].
GMEINER, WH ;
POULTER, CD .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (23) :7640-7647