Chemical Physics ( IF 2.0 ) Pub Date : 2020-05-14 , DOI: 10.1016/j.chemphys.2020.110851 Sumit Kumar Agrawal , Dhritabrata Pal , Amrita Chakraborty , Shamik Chakraborty
The anti-gauche conformational distribution of ethanol has been investigated using the and symmetric stretching infrared spectra in argon and nitrogen matrix. The dipole moment of the gauche conformer is higher compared to the anti conformer. The relative population of the anti and gauche conformer of ethanol depends on the rare gas mixture in the gas phase and also in the matrix after thermal cyclisation. In the gas phase, the anti conformer is more populated in nitrogen mixture whereas the gauche conformer is more populated in the argon mixture. After thermal cyclisation in the matrix, the anti conformer isomerise to the gauche conformer in nitrogen matrix and reverse happens in the argon matrix. Thermal cyclisation at 30 K in nitrogen matrix leads to the splitting of the gauche states that is probed by monitoring symmetric stretching frequency mode.
中文翻译:
乙醇单体重新:之间的热异构化反和笨拙,在Ar和N构象异构体2矩阵
乙醇的抗gauche构象分布已使用 和对称 在氩和氮基质中扩展红外光谱。与反构象体相比,gauche构象体的偶极矩更高。乙醇的抗和构型构象的相对数量取决于气相和热环化后基质中的稀有气体混合物。在气相中,反构象异构体在氮气混合物中含量更高,而薄纱构象异构体在氩气混合物中含量更高。在基质中进行热环化后,反构象异构体会在氮基质中异构化为gauche构象异构体,然后在氩气基质中发生逆向异构。在氮基质中以30 K进行热环化会导致薄纱的分裂 通过监视对称来探测的状态 拉伸频率模式。