Vibrational spectra and ab initio analysis of tert-butyl, trimethylsilyl, trimethylgermyl, trimethylstannyl and trimethylplumbyl derivatives of 3,3-dimethylcyclopropene. XII. 1,2-Di-tert-butyl-3,3-dimethylcyclopropene.
The synthesis of 1,2-di-tert-butyl-3,3-dimethylcyclopropene (I) is performed and its IR and Raman spectra are measured. Optimized geometries of I are obtained at the HF/6-31G* and CCSD/cc-pVDZ levels. The ab initio calculated spectra are used for the assignments of the experimental spectral data. The results obtained are compared with the corresponding data for 3,3-dimethylbut-1-ene and 3,3-dimethylcyclopropene. These experimental data and the total vibrational analysis of I supplement the information obtained in the series of investigations of tert-butyl, trimethylsilyl, trimethylgermyl, trimethylstannyl, and trimethylplumbyl derivatives of 3,3-dimethylcyclopropene.
de Meijere
Armin
A
Institut für Organische und Biomolekulare Chemie, Georg-August-Universität Göttingen, Göttingen, Germany. ameijer1@gwdg.de
Sokolov
Viktor V
VV
Yufit
Dmitry S
DS
Panchenko
Yurii N
YN
De Maré
George R
GR
Abramenkov
Alexander V
AV
Lokshin
Boris V
BV
Senyavin
Vladimir M
VM
D003521:Cyclopropanes / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D013055:Spectrophotometry, Infrared; D013059:Spectrum Analysis, Raman; D014297:Trimethylsilyl Compounds / Q000737:chemistry*; D014732:Vibration; D014961:X-Ray Diffraction
C549579:1,2-di-tert-butyl-3,3-dimethylcyclopropene; D003521:Cyclopropanes; D014297:Trimethylsilyl Compounds