Acetic acid dimers in a nitrogen matrix: Observation of structures containing the higher-energy conformer

2015 | journal article. A publication of Göttingen

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​Acetic acid dimers in a nitrogen matrix: Observation of structures containing the higher-energy conformer​
Lopes, S.; Domanskaya, A. V.; Rasanen, M.; Khriachtchev, L. & Fausto, R.​ (2015) 
The Journal of Chemical Physics143(10) art. 104307​.​ DOI: 

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Lopes, Susy; Domanskaya, Alexandra V.; Rasanen, Markku; Khriachtchev, Leonid; Fausto, Rui
Acetic acid (AA) dimers are studied experimentally by infrared spectroscopy in a N-2 matrix and theoretically at the MP2/6-311++G(2d,2p) level of approximation. This work is focused on the first preparation and characterization of structures containing the higher-energy (cis) conformer of AA. Nine trans-trans, fourteen trans-cis, and six cis-cis dimers are theoretically predicted. Five trans-trans and a number of trans-cis dimers are identified in the experiments, but no indication of cis-cis dimers is found. Two trans-trans dimers and the trans-cis dimers are reported for the first time. One trans-cis dimer is prepared by selective vibrational excitation of the structurally related trans-trans dimer, which converts one of the trans subunits to the cis form. Several trans-cis dimers are obtained by annealing of a matrix containing both trans and cis monomers of AA. Tunneling-induced conversion of the trans-cis dimers into trans-trans forms (including two new trans-trans forms) is observed at low temperatures. (C) 2015 AIP Publishing LLC.
Issue Date
Amer Inst Physics
The Journal of Chemical Physics 
1089-7690; 0021-9606



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