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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Self-Assembly of Hydrogensquarates: Crystal Structures and Properties
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Self-Assembly of Hydrogensquarates: Crystal Structures and Properties

机译：氢加合物的自组装：晶体结构和性质

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摘要

The self-assembly of the hydrogensquarates is elucidated by means of linear-polarized infrared (IR-LD) spectroscopy of oriented colloids in nematic host and the so-called reducing-difference procedure for polarized IR-LD spectra interpretation. The scopes and limitation are discussed on five novel derivatives of squaric acid and its anions, that is, 2-chloro-3-aminopyridinium hydrogensquarate (1), bis (1,2,3,4-tetrahydroquino_linium) squarate (2), bis hydrogensquarate dihydrate salt of 4-(aminomethyl)pyridine (3), N-(2-ammoniumethyl)_piperazinium monohydrate hydrogensquarate squarate (4), and 3-nitropyridinium hydrogensquarate monohydrate (5), respectively. The structures of these compounds 1-5 were solved by means of single-crystal X-ray diffraction, and the crystallographic data were used for the experimental elucidation of the corresponding IR spectra of crystals with respect to studying Fermi-resonance (FR), Davydov splitting (DS), and Fermi_Davydov (FD) as well as Evans' hole effects. The various motifs for self-assembly of squaric acid and its anions in the organic crystals are discussed together with their IR-spectroscopic properties.
机译：通过向列主体中定向胶体的线性偏振红外（IR-LD）光谱和所谓的偏振差IR-LD光谱解释的减差程序，阐明了氢氰酸盐的自组装。讨论了方酸及其阴离子的五种新衍生物的范围和局限性，即2-氯-3-氨基吡啶鎓氢方形（1），双（1,2,3,4-四氢喹啉_亚麻酸）方形（2），双分别为4-（氨基甲基）吡啶（3），N-（2-铵乙基）_哌嗪一水合物方酸氢盐（4）和3-硝基吡啶鎓方酸氢盐一水合物（5）的二水合物二水合物盐。这些化合物1-5的结构通过单晶X射线衍射解析，并将晶体学数据用于实验研究费米共振（FR），达维多夫时晶体的相应IR光谱分裂（DS），费米·达维多夫（FD）以及埃文斯的孔效果。讨论了方酸及其阴离子在有机晶体中自组装的各种基序及其红外光谱性质。

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