ROTATIONAL TUNNELING OF CD3 GROUPS IN THE HYDROQUINONE METHANOL CLATHRATE - SINGLE-CRYSTAL AND POWDER DEUTERIUM NMR-SPECTRA

被引:25
作者
BERNHARD, T
HAEBERLEN, U
机构
[1] Max-planck-Institut für Medizinische Forchung, W-6900 Heidelberg
关键词
D O I
10.1016/S0009-2614(91)85147-O
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 single-crystal and powder H-2 NMR spectra of the hydroquinone/CD3OH clathrate recorded at T < 13 K reveal features characteristic of rotational tunneling of the CD3 groups. The ground-state tunnel splitting nu-t is larger than 2 MHz. Satisfactory agreement between simulated and recorded spectra is obtained if the angle between the C3 axis of the CD3 group and the C-D bond directions is taken to be 2-degrees larger than the tetrahedral angle. The line intensities in the single-crystal spectra show an oscillatory dependence on the pulse separation of the quadrupolar echo sequence.
引用
收藏
页码:307 / 312
页数:6
相关论文
共 11 条
[1]   A SIMPLE THEORY OF DEUTERIUM NMR SPIN ECHOES IN SOLIDS [J].
BODEN, N ;
KAHOL, PK .
MOLECULAR PHYSICS, 1980, 40 (05) :1117-1135
[2]   LOW-TEMPERATURE METHYL-GROUP DYNAMICS OF HEXAMETHYLBENZENE IN CRYSTALLINE AND GLASSY MATRICES AS STUDIED BY H-2 NMR [J].
BORNER, K ;
DIEZEMANN, G ;
ROSSLER, E ;
VIETH, HM .
CHEMICAL PHYSICS LETTERS, 1991, 181 (06) :563-568
[3]   QUADRUPOLAR ECHO DEUTERON MAGNETIC-RESONANCE SPECTROSCOPY IN ORDERED HYDROCARBON CHAINS [J].
DAVIS, JH ;
JEFFREY, KR ;
BLOOM, M ;
VALIC, MI ;
HIGGS, TP .
CHEMICAL PHYSICS LETTERS, 1976, 42 (02) :390-394
[4]   SPIN-LATTICE RELAXATION RATES OF TUNNELING CD3 GROUPS [J].
DIEZEMANN, G ;
SILLESCU, H ;
VANDERPUTTEN, D .
ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER, 1991, 83 (02) :245-257
[5]  
LALOWICZ ZT, 1988, Z NATURFORSCH A, V43, P219
[6]  
MACNICOL DD, 1984, INCLUSION COMPOUNDS, V2, P1
[7]   ORIENTATION OF METHANOL ENCLATHRATED IN THE BETA-HYDROQUINONE LATTICE - AN X-RAY CRYSTALLOGRAPHIC STUDY [J].
MAK, TCW .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1982, (11) :1435-1437
[8]   STUDY OF STATIC AND DYNAMIC STRUCTURE OF BETA-QUINOL-METHANOL CLATHRATE BY C-13 HIGH-RESOLUTION SOLID-STATE NMR AND PROTON T1 MEASUREMENTS [J].
MATSUI, S ;
TERAO, T ;
SAIKA, A .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (04) :1788-1799
[9]   ORIENTATIONS AND REORIENTATIONAL DYNAMICS OF METHANOL ENCLATHRATED IN BETA-QUINOL (HYDROQUINONE) FROM DIELECTRIC AND H-1, H-2, AND C-13 NMR-STUDIES [J].
RIPMEESTER, JA ;
HAWKINS, RE ;
DAVIDSON, DW .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (04) :1889-1898
[10]   INVESTIGATION OF SOLID-STATE MATRICES VIA H-2 NMR ON MOBILE DEUTERATED GUEST MOLECULES [J].
ROSSLER, E ;
TAUPITZ, M ;
VIETH, HM .
BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1989, 93 (11) :1241-1246