Trans-1,2-Dicyano-cyclopropane and Other Cyano-cyclopropane Derivatives : a theoretical and experimental VA, VCD, Raman and ROA spectroscopic study.

Trans-1,2-Dicyano-cyclopropane and Other Cyano-cyclopropane Derivatives : a theoretical and experimental VA, VCD, Raman and ROA spectroscopic study.

In this work we present the experimental vibrational absorption (VA), vibrational circular dichroism(VCD) and Raman spectra for (+)-trans-1(S),2(S)-dicyanocyclopropane and its dideuterio derivative, trans-1(S),2(S)-dicyano-1(S),2(S)-dideuteriocyclopropane, along with VA, VCD, Raman and Raman optical...

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Bibliographic Details
Main Authors: Jalkanen, Karl, Gale, Julian, Jalkanen, G., McIntosh, D., El-Azhary, A., Jensen, G.
Format: Journal Article
Published: 2007
Subjects:
PBE
B3LYP
VCD
Vibrational spectroscopy
PBE0
CADPAC
BLYP
BP91
DFT
VA
Raman and ROA
SIESTA
Conformational analysis
Online Access:http://hdl.handle.net/20.500.11937/12815

Internet

http://hdl.handle.net/20.500.11937/12815

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