Vibrational Spectra and Molecular Vibrational Behaviors of Dibenzyl Disulfide, Dibenzyl Sulphide and Bibenzyl

• Published in: International journal of molecular sciences Vol. 23; no. 4; p. 1958
• Main Authors: Wang, Ziyi, Song, Ruimin, Chen, Weigen, Wang, Jianxin, Wang, Pinyi, Zhang, Zhixian, Zhang, Xinyuan, Wan, Fu
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 10.02.2022; MDPI
• Subjects: Benzyl Compounds - chemistry; Bibenzyls - chemistry; Boltzmann distribution; Chemical bonds; Corrosion; corrosive sulfur; Density functional theory; Energy; Free energy; Gibbs free energy; Hydrocarbons; Hydrogen bonds; infrared spectroscopy; Models, Molecular; Molecular structure; Potential energy; Quantum Theory; Raman spectroscopy; Spectroscopy, Fourier Transform Infrared - methods; Spectrum analysis; Spectrum Analysis, Raman - methods; Sulfides; Sulfides - chemistry; Sulfur; Vibration; Vibration analysis; vibration assignment; Vibrational spectra; China; Raman spectroscopy; vibration assignment; corrosive sulfur; density functional theory; infrared spectroscopy

The vibration spectroscopy (Raman and infrared) of widely concerned molecules in sulfur corrosion phenomenon (Dibenzyl Disulfide, Dibenzyl Sulphide, and Bibenzyl) is detailedly analyzed based on density functional theory and experimental measurement. The dominant conformations of these molecules are...