DETERMINATION OF V-51 QUADRUPOLE AND CHEMICAL-SHIFT TENSOR ORIENTATIONS IN V2O5 BY ANALYSIS OF MAGIC-ANGLE-SPINNING NUCLEAR-MAGNETIC-RESONANCE SPECTRA

被引:58
作者
FERNANDEZ, C
BODART, P
AMOUREUX, JP
机构
[1] Laboratoire de Dynamique et Structure des Matériaux Moléculaires, CNRS URA 801, Université des Sciences el Technologies de Lille
关键词
MAGIC-ANGLE SPINNING NUCLEAR MAGNETIC RESONANCE SIMULATION; QUADRUPOLAR INTERACTION; CHEMICAL SHIFT ANISOTROPY; TENSOR ORIENTATIONS;
D O I
10.1016/0926-2040(94)90026-4
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
Magic-angle spinning (MAS) V-51 nuclear magnetic resonance (NMR) spectra of V2O5 have been recorded at various fields to evidence the relative effects of the quadrupole interaction and electronic shielding at the nucleus. A refinement of the spectra using theoretical simulations has been performed assuming a simultaneous existence of these two anisotropic interactions. The relative orientation of the principal axes for both tensors has been obtained. The results agree with previous single-crystal studies. Reliability of the results is discussed. A fundamental indetermination of the actual relative tensor orientations remains, owing to the powder nature of the sample.
引用
收藏
页码:79 / 91
页数:13
相关论文
共 32 条
[1]   METHODS FOR ANALYZING SPECTROSCOPIC LINE-SHAPES - NMR SOLID POWDER PATTERNS [J].
ALDERMAN, DW ;
SOLUM, MS ;
GRANT, DM .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (07) :3717-3725
[2]   SIDE-BAND ANALYSIS IN VARIABLE-ANGLE SAMPLE-SPINNING (VASS) NMR FOR THE CENTRAL TRANSITION OF QUADRUPOLAR NUCLEI (HALF-INTEGER SPIN) [J].
AMOUREUX, JP ;
FERNANDEZ, C ;
LEFEBVRE, F .
MAGNETIC RESONANCE IN CHEMISTRY, 1990, 28 (01) :5-10
[3]   SIMULATION OF NMR POWDER SPECTRA [J].
AMOUREUX, JP ;
FERNANDEZ, C ;
CARPENTIER, L ;
COCHON, E .
PHYSICA STATUS SOLIDI A-APPLIED RESEARCH, 1992, 132 (02) :461-475
[4]  
AMOUREUX JP, 1992, Z NATURFORSCH A, V47, P665
[5]  
Bachmann H. G., 1961, Z KRISTALLOGR, V115, P110, DOI DOI 10.1524/ZKRI.1961.115.1-2.110
[6]   NUCLEAR MAGNETIC RESONANCE POWDER PATTERNS IN PRESENCE OF COMPLETELY ASYMMETRIC QUADRUPOLE AND CHEMICAL SHIFT EFFECTS - APPLICATION TO METAVANADATES [J].
BAUGHER, JF ;
TAYLOR, PC ;
OJA, T ;
BRAY, PJ .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (11) :4914-&
[7]   MEASUREMENT OF QUADRUPOLAR COUPLING-CONSTANTS, SHIELDING TENSOR ELEMENTS, AND THE RELATIVE ORIENTATION OF QUADRUPOLAR AND SHIELDING TENSOR PRINCIPAL AXIS SYSTEMS FOR RB-87 AND RB-85 NUCLEI IN RUBIDIUM SALTS BY SOLID-STATE NUCLEAR MAGNETIC-RESONANCE [J].
CHENG, JT ;
EDWARDS, JC ;
ELLIS, PD .
JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (02) :553-561
[8]  
CULLITY BD, 1978, ELEMENTS X RAY DIFFR, P63
[9]   SOLID-STATE V-15 NMR STRUCTURAL STUDIES ON SUPPORTED VANADIUM(V) OXIDE CATALYSTS - VANADIUM-OXIDE SURFACE-LAYERS ON ALUMINA AND TITANIA SUPPORTS [J].
ECKERT, H ;
WACHS, IE .
JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (18) :6796-6805
[10]   A REFINEMENT OF THE STRUCTURE OF V2O5 [J].
ENJALBERT, R ;
GALY, J .
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 1986, 42 :1467-1469