期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 114, 期 10, 页码 3495-3502出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp911515f
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资金
- Academy of Finland
- Magnus Ehrnrooth foundation
- Faculty of Science of the University of Helsinki [7500101]
Six trans-trans and five trans-cis dimeric structures of formic acid (HCOOH) are revealed by ab initio Calculations. Four trans-trans and two trans-cis chillers are identified in the IR absorption spectra ill argon matrices. The trans-cis dimers are obtained by narrow-band IR excitation of the vibrational transitions of the trans-trans dimers. Two trans-trans (tt3 and tt6) and one trans-cis (tc4) dimer are characterized experimentally for the first time. The tunneling decay rates of two trans-cis dimers (tc1 and tc4) are evaluated at different temperatures. A greater lifetime of the trans-cis dimers at elevated temperatures compared to the cis-monomer suggests that the high-energy conformers call be stabilized upon hydrogen bonding.
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