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Back Cover: Reinterpretation of Dynamic Vibrational Spectroscopy to Determine the Molecular Structure and Dynamics of Ferrocene (Chem. Eur. J. 50/2016)
Author(s) -
Best Stephen P.,
Wang Feng,
Islam M. Tauhidul,
Islam Shawkat,
Appadoo Dominique,
Trevorah Ryan M.,
Chantler Christopher T.
Publication year - 2016
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201604858
Subject(s) - ferrocene , distortion (music) , cover (algebra) , molecule , chemistry , molecular vibration , population , potential energy surface , computational chemistry , molecular physics , chemical physics , materials science , atomic physics , physics , organic chemistry , electrode , mechanical engineering , engineering , electrochemistry , amplifier , demography , optoelectronics , cmos , sociology
The link between calculated and experimental vibrational spectra of dynamic molecules is made by application of transition state theory. Distortion by thermal population of the vibrational levels shifts a molecule along the reaction coordinate, leading to distortion of the band profiles of the higher wavenumber normal modes. For ferrocene this gives the stable form and energy barrier in its different physical states. More information can be found in the Full Paper by S. P. Best et al. on page 18019 ff.