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Anisotropy of the indirect nuclear spin-spin coupling constant. II. Treatment by the finite-perturbation method

✍ Scribed by H. Nakatsuji; K. Hirao; H. Kato; T. Yonezawa

Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
380 KB
Volume
6
Category
Article
ISSN
0009-2614

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✦ Synopsis

The finite perturbation method is apptied to the calculation of the anisotropy of the indirect nuclear spin-spin coupling constants. For CXQF, all the elements of the tialculated coupling tensors become larger than those reported in Paper I of this series. However. for the C-H coupling anisotropy. the calculated value is still too small to compare with the experimentally estimated value as Iarge as 1890 Hz. It seems that the effects other than the electronic one is important.

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