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The identification of the two missing conformers of gas-phase alanine: A jet-cooled Raman spectroscopy studyстатья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 6 декабря 2018 г.
- Автор: Balabin R.M.
- Журнал: Physical Chemistry Chemical Physics
- Том: 12
- Номер: 23
- Год издания: 2010
- Издательство: Royal Society of Chemistry
- Местоположение издательства: United Kingdom
- Первая страница: 5980
- Последняя страница: 5982
- DOI: 10.1039/b924029b
- Аннотация: The jet-cooled spontaneous Raman spectrum of an amino acid - alanine (Ala, 2-aminopropanoic acid; H2NCH(CH3)COOH) - is reported. The low-frequency vibrational spectrum (below 500 cm-1) was recorded and assigned using quantum chemical data: ab initio (MP2) and DFT (BLYP, B3LYP, and PBE0). Band polarization measurements were used to confirm the vibrational assignments. The acquired medium resolution spectra (HWHM of ∼4 cm -1) allow the different alanine conformations to be distinguished. Four alanine conformers were observed and identified: two previously reported by microwave spectroscopy studies and two that were previously unreported. A set of reasons for why these conformers eluded previous studies are discussed. Selective collisional relaxation processes in the jet (associated with low interconversion barriers between different alanine conformations) that depopulate the high-energy conformers were experimentally demonstrated.
- Добавил в систему: Балабин Роман Михайлович