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通过紫外-紫外光烧孔光谱法解析喷射冷却对乙酰氨基酚的构象。

Conformationally resolved structures of jet-cooled acetaminophen by UV-UV hole-burning spectroscopy.

机构信息

Department of Chemistry and Research Institute of Natural Science, Gyeongsang National University, Jinju , Republic of Korea.

出版信息

Phys Chem Chem Phys. 2011 Oct 6;13(37):16537-41. doi: 10.1039/c1cp21999e. Epub 2011 Aug 18.

DOI:10.1039/c1cp21999e
PMID:21850322
Abstract

The conformational structures of jet-cooled acetaminophen were investigated in the gas phase by resonant 2-photon ionization and UV-UV hole-burning spectroscopy. In contrast to the results from a previous study, two nearly isoenergetic conformers were distinctly found in a supersonic molecular beam expansion and positively identified as the cis and trans isomers of acetaminophen by UV-UV hole-burning spectroscopy. The 0-0 bands of the cis and trans isomers were found at 33518.7 and 33485.6 cm(-1), respectively. The vibronic bands of the two isomers are close-lying and/or partially overlapping due to the small energy difference (33 cm(-1)) between the two 0-0 bands. As a consequence, the recorded resonant 2-photon ionization spectrum is highly congested in the low excitation energy region, which develops continuously into a featureless, broadened spectrum in the high energy region.

摘要

采用共振双光子电离和紫外-紫外光烧孔光谱法,在气相条件下研究了射流冷却对乙酰氨基酚的构象结构。与之前研究的结果不同,在超声分子束扩展中明显发现了两个几乎等能量的构象体,并通过紫外-紫外光烧孔光谱法将其确认为对乙酰氨基酚的顺式和反式异构体。顺式和反式异构体的 0-0 带分别位于 33518.7 和 33485.6 cm(-1)。由于两个 0-0 带之间的能量差(33 cm(-1))很小,两个异构体的振子带非常接近/部分重叠。因此,在低激发能量区域,记录的共振双光子电离光谱高度拥挤,在高能区域连续发展为无特征、展宽的光谱。

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