期刊
CHEMICAL PHYSICS LETTERS
卷 525-26, 期 -, 页码 37-43出版社
ELSEVIER
DOI: 10.1016/j.cplett.2012.01.004
关键词
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资金
- National Research Foundation of Korea (NRF)
- Ministry of Education, Science and Technology [2008-331-C00132, 2010-0012366]
- Ajou University
- Korea Institute of Science and Technology Information (KISTI) [KSC-2010-C1-0037]
- National Research Foundation of Korea [2010-0012366, 2008-331-C00132] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
Solvent-assisted conformational isomerization (SACI) in meta-substituted phenols with substituents of varying electron-donating/withdrawing properties was studied in the gas phase. SACI of m-anisidine (m-methoxyaniline) occurs when the binding energy of solvent is higher than isomerization barrier, very similarly to the previously reported case of m-aminophenol. Two conformers of m-chlorophenol have similar relative energy, and SACI does not occur because forward/reverse isomerization rates are similar. While SACI does not occur with m-cyanophenol-H2O though the binding energy is higher than the barrier, D2O can induce SACI of m-cyanophenol because of increased intermolecular vibrational relaxation rate. In m-cyanophenol-d(1), SACI yield with D2O becomes even greater due to faster intramolecular vibrational energy redistribution. (C) 2012 Elsevier B. V. All rights reserved.
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