A conformational study of bicyclo[3.1.0] hexane and of the 3-bicyclo[3.1.0]hexyl carbonium ion: an AB initio SCF investigation

作者: P.J. Mjöberg , Jan Almlöf

DOI: 10.1016/0301-0104(78)85072-1

关键词:

摘要: Abstract Non-empirical Hartree—Fock calculations using a double-zeta basis set have been performed for different conformations of the bicyclo[3.1.0] hexane mo

参考文章(37)
L. A. Carreira, R. C. Lord, Far‐Infrared Spectra of Ring Compounds. IV. Spectra of Compounds with an Unsymmetrical Potential Function for Ring Inversion The Journal of Chemical Physics. ,vol. 51, pp. 2735- 2744 ,(1969) , 10.1063/1.1672398
J. D. Lewis, J. Laane, Thomas B. Malloy, Raman spectra and out‐of‐plane ring vibrations of bicyclo [3.1.0] hexane and its analogs Journal of Chemical Physics. ,vol. 61, pp. 2342- 2345 ,(1974) , 10.1063/1.1682312
Shrinivas P. Acharya, Herbert Charles Brown, Akira Suzuki, Seichi Nozawa, Mitsuomi Itoh, Hydroboration of terpenes. V. Isomerization of (+)-sabinene to (+)-.alpha.-thujene. Hydroboration of (+)-sabinene and (+).alpha.-thujene with configurational assignments for the thujanols Journal of Organic Chemistry. ,vol. 34, pp. 3015- 3022 ,(1969) , 10.1021/JO01262A048
R.L. Hilderbrandt, J.D. Wieser, The structure of cyclopentene oxide determined by gas phase electron diffraction Journal of Molecular Structure. ,vol. 22, pp. 247- 255 ,(1974) , 10.1016/0022-2860(74)85151-3
Howard E. Smith, John C. D. Brand, Eddie H. Massey, Lois J. Durham, Terpenes. III. The Nuclear Magnetic Resonance Spectra and Absolute Configurations of the Thujylamines1 Journal of Organic Chemistry. ,vol. 31, pp. 690- 693 ,(1966) , 10.1021/JO01341A011
Sigeru Huzinaga, Yoshiko Sakai, Gaussian‐Type Functions for Polyatomic Systems. II The Journal of Chemical Physics. ,vol. 50, pp. 1371- 1381 ,(1969) , 10.1063/1.1671200
Marvin F. Grostic, David J. Duchamp, Connie G. Chidester, Bicyclo[3.1.0]hexane conformation. Crystal structure of N-exo-6-bicyclo[3.1.0]hexyl-p-bromosulfonamide Journal of Organic Chemistry. ,vol. 36, pp. 2929- 2932 ,(1971) , 10.1021/JO00819A004