物理化学学报 >> 1989, Vol. 5 >> Issue (01): 10-14.doi: 10.3866/PKU.WHXB19890104

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用自旋-晶格弛豫时间T1研究吗啡的不对称旋转和甲基内旋转速度

王德华; Levy,George C.   

  1. 中国科学院武汉物理所波谱与原子分子物理开放实验室；美国Syracuse大学化学系
  • 收稿日期:1987-06-10 修回日期:1987-11-16 发布日期:1989-02-15
  • 通讯作者:

Analysis of Axially Symmetric Molecular Tumbling and Methyl Internal Rotation Rates of Morphine by 13C Spin-Lattice Relaxation Time T1

Wang Dehua; Levy,George C.   

  1. Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics, Academia Sinica, China; Department of Chemistry, Syracuse University, USA
  • Received:1987-06-10 Revised:1987-11-16 Published:1989-02-15
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摘要： 在~(13)C 90.1和62.9MHz观察频率下测定了吗啡(morphine)分子在溶液中的核弛豫参数。用分子不对称旋转模型算得吗啡分子绕X轴的旋转速度为8.6×10~9周秒~(-1),绕Y轴的旋转速度为6.1×10~9周秒~(-1)。NCH_3中甲基的内旋转速度为5.7×10~9周秒~(-1),内旋转位垒为4.59 kcal mol~(-1)。

Abstract: ~(13)C relaxation parameters of morphine in solution were measured at 90.1 and 62.9 MHz. An axially symmetric rotational model was applied to calculate the ro- tational rates.The calculated rotational rates are 8.6×10~9 revolution s~(-1) about the principal X-axis and 6.1×10~9 revolution s~(-1) about Y-axis.The N-CH_3 methyl internal rotation rate is 5.7×10~9 revolution s~(-1) and the internal rotation barrier is 4.59 kcal mo1~(-1).