Matrix isolation infrared and ab initio studies on conformers of formic acid anhydride
| Autor: | Markku Räsänen, Janne Nieminen, T. Raaska, Juhani Murto, Jan Lundell |
|---|---|
| Rok vydání: | 1993 |
| Předmět: |
Quantitative Biology::Biomolecules
Chemistry Formic acid Infrared General Engineering Ab initio Matrix isolation chemistry.chemical_compound Crystallography Computational chemistry Molecular vibration Irradiation Physics::Chemical Physics Physical and Theoretical Chemistry Conformational isomerism Vibrational spectra |
| Zdroj: | The Journal of Physical Chemistry. 97:4577-4581 |
| ISSN: | 1541-5740 0022-3654 |
| DOI: | 10.1021/j100120a004 |
| Popis: | High-energy conformers of formic acid anhydride were produced in low-temperature Ar matrices with the aid of UV irradiation. One previously unknown conformer, EE, was detected from the FTIR spectra of the irradiated matrices. Connected with the assignment of this new species, the stabilities and vibrational spectra of three previously assumed conformers, obtained with respect to internal rotation about the C-O bonds, were studied by ab initio methods. At all levels used, the AE conformer was the lowest energy species |
| Databáze: | OpenAIRE |
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