Document Detail

Dimers of the Higher-Energy Conformer of Formic Acid: Experimental Observation.
MedLine Citation:
PMID:  22280475     Owner:  NLM     Status:  Publisher    
We report on the first experimental observation of formic acid dimers composed of two molecules of the higher-energy cis conformer. The cis-cis formic acid dimers are prepared in an argon matrix by selective vibrational excitation of the ground state trans conformer (deuterated form HCOOD) combined with thermal annealing of the matrix at about 30 K. Five cis-cis formic acid dimers are predicted by ab initio calculations (interaction energies from -16.9 to -27.2 kJ mol-1), and these structures are used for the assignment of the experimental spectra. Selective vibrational excitation of the obtained cis-cis dimers leads to the formation of several trans-cis dimers, which supports the proposed assignments.
Kseniya Marushkevich; Leonid Khriachtchev; Markku Rasanen; Mia Melavuori; Jan Lundell
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2012-1-26
Journal Detail:
Title:  The journal of physical chemistry. A     Volume:  -     ISSN:  1520-5215     ISO Abbreviation:  -     Publication Date:  2012 Jan 
Date Detail:
Created Date:  2012-1-27     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9890903     Medline TA:  J Phys Chem A     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
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