Secondary Periodicity in the Structural and Vibrational Characteristics of 3,3-DIMETHYLCYCLOPROPENES - and Monosubstituted by -X{(CH_3)}_3 (x = C, Si, Ge, Sn, Pb)

Details Secondary Periodicity in the Structural and Vibrational Characteristics of 3,3-DIMETHYLCYCLOPROPENES - and Monosubstituted by -X{(CH_3)}_3 (x = C, Si, Ge, Sn, Pb) Secondary Periodicity in the Structural and Vibrational Characteristics of 3,3-DIMETHYLCYCLOPROPENES - and Monosubstituted by -X{(CH_3)}_3 (x = C, Si, Ge, Sn, Pb)

Jun 2009

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009mss..confewg08p&link_type=abstract

"International Symposium On Molecular Spectroscopy, 64th Meeting, Held 22-26 June, 2009 at Ohio State University. http://molspec

Computer Science

Infrared/Raman

Scientific paper

The regularities of changes in the structural parameters and vibrational wavenumbers have been traced for certain moieties of the title compounds. The optimized geometrical parameters and the force fields of disubstituted 3,3-dimethylcyclopropenes and monosubstituted 3,3-dimethylcyclopropenes were determined at the HF/3-21G* and DDAll levels, respectively. The choice of these theoretical levels was brought about by peculiarities of GAUSSIAN 03 suite of programs for Sn and Pb atoms. The theoretical vibrational wavenumbers were calculated from the corresponding scaled force fields. The regularities obtained in the form of the zigzag lines are analogous to regularities that are characteristic to the atoms of the 14 (IVA) group of the Mendeleyev Periodic Table. This is known as the secondary periodicity phenomenon.
Yu. N. Panchenko, G. R. De Maré, A. V. Abramenkov, and A. de Meijere, Spectrochim. Acta 65A, 575 (2006).
G. R. De Maré, Yu. N. Panchenko, and A. V. Abramenkov, Spectrochim. Acta 67A, 1094 (2007).

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