MOLECULAR-DYNAMICS IN POLYCRYSTALLINE TESTOSTERONE STUDIED BY PROTON NMR

被引:28
作者
ANDREW, ER [1 ]
RADOMSKI, JM [1 ]
机构
[1] UNIV FLORIDA,DEPT RADIOL,GAINESVILLE,FL 32611
关键词
TESTOSTERONE; PROTON NMR; RELAXATION; MOLECULAR DYNAMICS; METHYL ROTATION;
D O I
10.1016/0926-2040(93)90063-S
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
Polycrystalline testosterone (17beta-hydroxy-4-androsten-3-one, C19H28O2) has been investigated by proton NMR methods between 70 K and the melting point 428 K. Reductions in dipolar second moment and two well-resolved minima in the spin-lattice relaxation time measured at 25 MHz are ascribed to reorientation of the two methyl groups in the molecule. Activation energies E(a) characterizing the motions were 6.1+/-0.5 and 11.9+/-0.9 kJ/mol; the pre-exponential time factors tau0 were (2.3+/-0.1)x10(-13) and (2.85+/-0.2)x10(-13) s, respectively.
引用
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页码:57 / 60
页数:4
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