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Conformational composition of 1-butanol in matrix isolation
Low Temperature Physics ( IF 0.6 ) Pub Date : 2021-04-27 , DOI: 10.1063/10.0003744
I. Doroshenko 1 , Ye. Vaskivsky 2 , Ye. Chernolevskaya 2 , O. Doroshenko 1
Affiliation  

IR absorption spectra of 1-butanol isolated in an argon matrix were obtained at temperatures from 10 to 50 K. The conformational behavior of 1-butanol was analyzed using the results of quantum-chemical simulation of the structure and vibrational spectra of its small clusters. We studied the conformational composition of 1-butanol in matrix isolation and showed the transformation of its structure that occurs with an increase in the matrix temperature.

中文翻译:

基质分离中1-丁醇的构象组成

在10至50 K的温度下获得了在氩气基质中分离出的1-丁醇的红外吸收光谱。使用量子化学方法对其小团簇的结构和振动光谱进行了分析,分析了1-丁醇的构象行为。我们研究了1-丁醇在基质分离中的构象组成,并显示了随着基质温度升高而发生的结构转变。
更新日期:2021-04-30
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