Can I read The Structure and Spectra of 1,1-Bis(trimethylsilylethynyl)-cyclopropane: a Priori Calculated Force Field and Vibrational Effects on EtoBox?

The Structure and Spectra of 1,1-Bis(trimethylsilylethynyl)-cyclopropane: a Priori Calculated Force Field and Vibrational Effects by M Trætteberg; L.S Khaikin; O.E Grikina; S.I Kozhushkov; A de Meijere is a Chemistry article available to read on EtoBox.

What is The Structure and Spectra of 1,1-Bis(trimethylsilylethynyl)-cyclopropane: a Priori Calculated Force Field and Vibrational Effects about?

The molecular structure of 1,1-bis(trimethylsilylethynyl)cyclopropane has been studied by the gas electron diffraction method, by vibrational spectroscopic methods and by ab initio calculations at the RHF and MP2 levels. A scaled quantumchemical force field was used for band assignment in the experimental IR (4000-100 cm 21 ) and Raman (4000 -200 cm 21 ) spectra. The root-mean-square vibrational amplitudes and harmonic shrinkage corrections were calculated taking into account non-linear relations between Cartesian and internal vibrational coordinates at the level of first-order perturbation theory (h1) and with the use of the traditional scheme (h0).

Who reads The Structure and Spectra of 1,1-Bis(trimethylsilylethynyl)-cyclopropane: a Priori Calculated Force Field and Vibrational Effects?

Author

M Trætteberg; L.S Khaikin; O.E Grikina; S.I Kozhushkov; A de Meijere

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0022-2860)

Published

2002

Language

EN

Field

Chemistry (Physical Sciences)