title: 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.
abstract: 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.
authors.affiliation: Institut für Organische und Biomolekulare Chemie, Georg-August-Universität Göttingen, Göttingen, Germany. ameijer1@gwdg.de
authors.forename: Armin
authors.initials: A
authors.lastname: de Meijere
authors.forename: Viktor V
authors.initials: VV
authors.lastname: Sokolov
authors.forename: Dmitry S
authors.initials: DS
authors.lastname: Yufit
authors.forename: Yurii N
authors.initials: YN
authors.lastname: Panchenko
authors.forename: George R
authors.initials: GR
authors.lastname: De Maré
authors.forename: Alexander V
authors.initials: AV
authors.lastname: Abramenkov
authors.forename: Boris V
authors.initials: BV
authors.lastname: Lokshin
authors.forename: Vladimir M
authors.initials: VM
authors.lastname: Senyavin
mesh_terms: 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
chemical_list: C549579:1,2-di-tert-butyl-3,3-dimethylcyclopropene; D003521:Cyclopropanes; D014297:Trimethylsilyl Compounds