Conformationally resolved spectroscopy of jet-cooled methacetin

Moon, Cheol Joo; Ahn, Ahreum; Min, Ahreum; Seong, Yeon Guk; Kim, Ju Hyun; Choi, Myong Yong

doi:10.1016/j.cplett.2017.09.049

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Conformationally resolved spectroscopy of jet-cooled methacetin

Moon, Cheol Joo;
Ahn, Ahreum;
Min, Ahreum;
Seong, Yeon Guk;
Kim, Ju Hyun;
... Choi, Myong Yong

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초록

The excitation spectra of jet-cooled methacetin (MA) have been measured using a combination of massselected resonant two-photon ionization and ultraviolet-ultraviolet hole-burning (UV-UV HB) spectroscopy in the gas phase. Four different UV-UV HB spectra originating from two conformers of MA (syn-and anti-MA) with their fundamental and hot transitions have been obtained. IR-dip spectroscopy has conclusively confirmed the coexistence of the two conformers with the aid of theoretical calculations. Vibronic band assignments in the low frequency region caused by internal methyl group rotation in the methyl-capped peptide group, which originate from the 1e rotational level, are presented. (C) 2017 Elsevier B.V. All rights reserved.

키워드

Methacetin (MA); Resonant two-photon ionization (R2PI); UV-UV hole-burning (UV-UV HB) spectroscopy; IR-dip spectroscopy; Quantum chemical calculations; C-13-METHACETIN BREATH TEST; GAS-PHASE; ISOMERS; ACETAMINOPHEN; CLUSTERS; SPECTRA; DFT

제목: Conformationally resolved spectroscopy of jet-cooled methacetin

저자: Moon, Cheol Joo; Ahn, Ahreum; Min, Ahreum; Seong, Yeon Guk; Kim, Ju Hyun; Choi, Myong Yong

DOI: 10.1016/j.cplett.2017.09.049

발행일: 2017-11

유형: Article

저널명: Chemical Physics Letters

권: 688

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