Koleva Bojidarka B, Stoyanov Stanimir, Kolev Tsonko, Petkov Ivan, Spiteller Michael
Lehrstuhl für Analytische Chemie, Ruhr-Universität Bochum, Universitätsstrasse 150, 44780 Bochum, Germany.
Spectrochim Acta A Mol Biomol Spectrosc. 2008 Dec 1;71(3):847-53. doi: 10.1016/j.saa.2008.02.036. Epub 2008 Mar 4.
Structural and spectroscopic elucidation of merocyanine dye, 2,5-[1-metyl-4-[2-(4-hydroxyphenyl)ethenyl)]piridinium]-hexane tetraphenylborate, is performed in gas and condense phase by means of solution and solid-state conventional and linear-polarized IR-spectroscopy of oriented colloids in nematic liquid crystal suspension, UV-vis and fluorescence methods, HPLC MS/MS tandem and ESI mass spectrometry, (1)H, (13)C and (1)H-(1)H COSY NMR, TGV and DSC methods. Quantum chemical DFT calculations are performed for structural optimization and spectroscopic properties prediction.
通过向列型液晶悬浮液中的定向胶体溶液和固态常规及线性偏振红外光谱、紫外可见和荧光方法、HPLC MS/MS串联和电喷雾电离质谱、（1）H、（13）C和（1）H-（1）H化学位移相关谱核磁共振、热重分析和差示扫描量热法，对部花青染料2,5-[1-甲基-4-[2-（4-羟基苯基）乙烯基]吡啶鎓]-己烷四苯基硼酸盐在气相和凝聚相进行结构和光谱解析。进行量子化学密度泛函理论计算以优化结构并预测光谱性质。
