Pseudo-rotational motion of cyclic molecules and thermal conductivity of tetrahydrofuran

Авторы

  • V.A. Konstantinov B. Verkin Institute for Low Temperature Physics and Engineering, 47 Lenin Ave., 61103 Kharkov, Ukraine
  • V.V. Sagan B. Verkin Institute for Low Temperature Physics and Engineering, 47 Lenin Ave., 61103 Kharkov, Ukraine
  • V.P. Revyakin B. Verkin Institute for Low Temperature Physics and Engineering, 47 Lenin Ave., 61103 Kharkov, Ukraine
  • A.V. Karachevtseva B. Verkin Institute for Low Temperature Physics and Engineering, 47 Lenin Ave., 61103 Kharkov, Ukraine

Ключевые слова:

amplitude, angular forces cyclic molecules

Аннотация

Pseudo-rotation is a large amplitude motion arising from the interaction of two degenerate, or nearly degenerate out-of-plane ring puckering modes in the presence of a small barrier to planarity of the molecule [1]. Pseudo-rotation in tetrahydrofuran (THF), C4H8O, arises from near cancellation of the angular strain forces due to nontetrahedral bond angles in the skeleton ring and torsional forces due to hydrogen-hydrogen repulsion.

Библиографические ссылки

1 D.O. Harris, G.G. Engerholm, C.A. Tolman, A. Luntz, R.A. Keler, H. Kim and W.D. Gwinn, J. Chem. Phys. 50, 2438 (1969).

2 W.J. Lafferty, D.W. Robbinson and R.W. St. Louis, J. Chem. Phys. 42, 2915 (1965).

3 D.G. Melnik, S. Gopalakrishnan and T.A. Miller, J. Chem. Phys. 118, 3589 (2003).

4 B.V. Lebedev, I.B. Rabinovich, V.I. Milov and V.Ya. Lityagov, J. Chem. Thermodynamics, 10, 321 (1978).

5 P. Luger, J. Buschmann, Angew. Chem. Int. Ed. Engl., 22, 410 (1983).

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Опубликован

2015-01-21

Выпуск

Раздел

Физика конденсированного состояния и проблемы материаловедения. Нанонаука

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