C-13 NMR RELAXATION AND MOLECULAR-DYNAMICS - OVERALL MOVEMENT AND INTERNAL-ROTATION OF METHYL-GROUPS IN N,N-DIMETHYLFORMAMIDE

被引：31

作者：

KONRAT, R ^{[1
]}

STERK, H ^{[1
]}

机构：

[1] GRAZ UNIV,INST ORGAN CHEM,HEINRICHSTR 28,A-8010 GRAZ,AUSTRIA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1990年 / 94卷 / 04期

关键词：

D O I：

10.1021/j100367a017

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：

To describe the overall movement of N,N-dimethylformamide (DMF) the magnetization modes formalism proposed by Werbelow and Grant has been used. Thereby, the carbon of the aldehyde group has been considered as an AX spin system with an additional coupling between dipolar and chemical shift anisotropy (CSA) contributions. The rotation of the methyl groups has been described by a formalism applicable to molecules with an anisotropic overall motion and additional internal mobility. The methyl groups were treated as AX3 spin systems. The rotation of the trans-methyl group was found to be faster than that of cis-methyl group. © 1990 American Chemical Society.

引用

页码：1291 / 1293

页数：3

共 20 条

[1] RELAXATION MATRICES FOR AX2 AND AX3 NUCLEAR SPIN SYSTEMS [J].

BAIN, AD ;

LYNDENBELL, RM .

MOLECULAR PHYSICS, 1975, 30 (02) :325-356

[2] NONEXPONENTIAL RELAXATION OF C-13 NUCLEI IN PROTON-DECOUPLED METHYL GROUP [J].

BUCHNER, W .

JOURNAL OF MAGNETIC RESONANCE, 1973, 12 (01) :82-87

[3] DYNAMIC PROPERTIES OF MALONIC-ACID IN SOLUTION FROM SPIN RELAXATION OF A C-13 LABELED METHYLENE GROUP [J].

FUSON, MM ;

PRESTEGARD, JH .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (03) :1539-1549

[4]

FYFE CA, SOLID STATE NMR CHEM

[5]

KOENIGSBERGER E, 1985, J CHEM PHYS, V83, P2723

[6] EFFECT OF INTERNAL-ROTATION ON ANGULAR-CORRELATION FUNCTIONS OF ASYMMETRIC TOPS [J].

KONRAT, R ;

STERK, H .

CHEMICAL PHYSICS LETTERS, 1989, 159 (2-3) :137-142

[7] C-13 RELAXATION AND INTERNAL ROTATION IN MESITYLENE AND ORTHO XYLENE [J].

KUHLMANN, KF ;

GRANT, DM .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (06) :2998-&

[8] C-13 SPIN-LATTICE RELAXATION IN ACETONITRILE/R [J].

LEIPERT, TK ;

NOGGLE, JH ;

GILLEN, KT .

JOURNAL OF MAGNETIC RESONANCE, 1974, 13 (02) :158-166

[9] CALCULATION OF DIPOLAR NUCLEAR MAGNETIC-RELAXATION TIMES IN MOLECULES WITH MULTIPLE INTERNAL ROTATIONS .2. THEORETICAL RESULTS FOR ANISOTROPIC OVER-ALL MOTION OF MOLECULE, AND COMPARISON WITH C-13 RELAXATION-TIMES IN N-ALKANES AND N-ALKYL BROMIDES [J].

LEVINE, YK ;

BIRDSALL, NJ ;

LEE, AG ;

METCALFE, JC ;

PARTINGT.P ;

ROBERTS, GCK .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2890-2899

[10] C-13 NMR STUDY OF ALIPHATIC AMIDES AND OXIMES - SPIN-LATTICE RELAXATION-TIMES AND FAST INTERNAL MOTIONS [J].

LEVY, GC ;

NELSON, GL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (14) :4897-&

← 1 2 →