Rice S. (ed.)'s Advances in Chemical Physics, PDF

By Rice S. (ed.)

ISBN-10: 0470464992

ISBN-13: 9780470464991

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Furthermore, torsional states offer important doorways for vibrational energy flow in alcohols [142]. At the low-frequency end of methanol cluster dynamics, hindered monomer rotations and translations appear in the IR spectrum [156, 221 223]. When methanol interacts with other molecules, there are some characteristic differences to water [36]. For example, methanol can symmetrically bind two HCl molecules to its lone pairs without significant energy penalty compared to a cooperative ring arrangement [61].

Substitution of both methyl groups by CF3 simplifies the isomer pattern, because the resulting hexafluoroisopropanol favors the nonchiral trans conformation [269]. Currently, we are investigating the influence of aliphatic chain length on the interaction of the CF3 group with the alcohol function in linear trifluoroalkanols and the resulting competition between intramolecular folding and intermolecular aggregation. H. Chlorinated Alcohols Chlorinated methanols are only metastable [271], like their fluorinated counterparts.

Comparison to direct absorption results can shed light onto the underlying mechanisms of the complex high-energy processes. Even the spectroscopy of strongly bound core electrons reveals some sensitivity to the hydrogen bond interaction in alcohols [186], but the sensitivity currently restricts the study to fairly large clusters. 20 martin a. suhm IV. COMPUTATIONAL METHODS Computational methods that assist the characterization of alcohol cluster dynamics are essential, numerous, and diverse Here, we can only briefly mention some of them that turn out to be particularly useful for the analysis presented below.

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Advances in Chemical Physics, by Rice S. (ed.)


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