Abstract:Pentafluoro phenol (PFP) and pentafluorobenzoic acid (PFBA) as ligands were combined with 4,4’-bipyridine (BP) to obtain two kinds of co-crystals, BP/PFP and BP/PFBA, respectively. Raman and infrared spectra of two co-crystals and their precursors were obtained. The relevant peaks were analyzed, with the help of the calculated spectra throughdensity functional theory (DFT). Infrared spectra show rich hydrogen bonds existed in these two co-crystals. Raman characterization indicates that hydrogen bonding in the BP/PFBA co-crystal is stronger than that in the BP/PFP. In addition, combined with infrared, Raman and crystal structure data, it is found that hydrogen bond and π-π interaction coexist in the BP/PFP co-crystal. The difference of weak interaction results in the difference of crystal structure. This study displays significance for further under standing of the structure and properties of co-crystals, which is helpful for the design of novel co-crystals.
Key words:Co-crystal; Infrared; Raman; Hydrogen bond
何 剑,李爱森,王 晶,徐抒平,徐蔚青. 联吡啶与五氟苯酚、五氟苯甲酸共晶弱相互作用的光谱解析与结构研究[J]. 光谱学与光谱分析, 2020, 40(05): 1393-1396.
HE Jian, LI Ai-sen, WANG Jing, XU Shu-ping, XU Wei-qing. Spectral and Structural Investigation on Weak Interactions of Bipyridine/Pentafluorophenol and Bipyridine/Pentafluorobenzoic Acid Co-Crystals. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2020, 40(05): 1393-1396.
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