Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5376752 | Chemical Physics | 2006 | 8 Pages |
Abstract
It is markedly higher than that for the complex of HMB with tetracyanoquinodimethane (TCNQ) for which Z = 0.06. The analysis of vibrational modes connected with torsional motion in the low frequency region was performed based on the inelastic neutron scattering (INS) experiments and DFT theoretical calculations. The correlation between νexp/νcalc and νcalc shows a deviation of experimental values from calculated ones. It is the higher the lower is the frequency of the analysed mode. The comparison of correlations for neat HMB and its complexes with TCNQ and TCNE suggests that some role in decreasing the barrier to rotation can be played by the charge transfer between D and A molecules.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
A. PawlukojÄ, W. Sawka-Dobrowolska, G. Bator, L. Sobczyk, E. Grech, J. Nowicka-Scheibe,