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甘醇酸与氮气在氩基质中的复合物。二、振动倍频激发。

Complexes of Glycolic Acid with Nitrogen Isolated in Argon Matrices. II. Vibrational Overtone Excitations.

机构信息

Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw, Poland.

Department of Chemistry, University of Jyvaskyla, P.O.Box 35, 40014 Jyvaskyla, Finland.

出版信息

Molecules. 2019 Sep 6;24(18):3245. doi: 10.3390/molecules24183245.

Abstract

Structural changes of glycolic acid (GA) complex with nitrogen induced by selective overtone excitation of the νOH mode were followed in argon matrices using FTIR spectroscopy. For the most stable SSC1 complex present in different trapping sites directly upon deposition site, selective changes in the νOH region were achieved upon near-infrared irradiation. Simultaneously, new conformers of the GA…N complex were formed, giving rise to several sets of bands in the νOH and νC=O regions of the spectra. Both position and intensity of new absorptions appeared to be highly sensitive on the wavelength of radiation used, as well as on the annealing of the matrix. Based on theoretical calculations at different levels of theory, an assignment of the observed bands is proposed and discussed.

摘要

采用傅里叶变换红外光谱法,在氩基质中跟踪研究了通过νOH 模式的选择泛频激发诱导的甘醇酸(GA)与氮的结构变化。对于在沉积点直接存在于不同捕获点的最稳定的 SSC1 配合物,近红外辐照可选择性地改变νOH 区域。同时,GA…N 配合物的新构象形成,导致光谱中νOH 和 νC=O 区域出现几组谱带。新吸收的位置和强度似乎对所用辐射波长以及基质的退火非常敏感。基于不同理论水平的理论计算,提出并讨论了观察到的谱带的分配。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0aab/6766840/ee6f8ce2c5f9/molecules-24-03245-g001.jpg

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