New structural motifs and properties of squaric acid anions in the presence of the L-lysinium counterion

被引：27

作者：

Kolev, Tsonko ^{[2
]}

Mayer-Figge, Heike ^{[1
]}

Seidel, Ruediger W. ^{[1
]}

Sheldrick, William S. ^{[1
]}

Spiteller, Michael ^{[2
]}

Koleva, Bojidarka B. ^{[1
]}

机构：

[1] Ruhr Univ Bochum, Lehrstuhl Analyt Chem, D-44780 Bochum, Germany

[2] Univ Dortmund, Inst Umweltforsch, D-44221 Dortmund, Germany

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2009年 / 919卷 / 1-3期

关键词：

L-Lysinium hydrogensquarate monohydrate; Salt of L-lysinium dication; Crystal structure; Solid-state linear-polarized IR-spectroscopy; Quantum chemical calculations; ESI-MS; NONLINEAR-OPTICAL PROPERTIES; MEROCYANINE DYE ASSEMBLIES; SUPRAMOLECULAR POLYMERIZATION; ORGANIZATION; VALIDATION;

D O I：

10.1016/j.molstruc.2008.09.016

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Two novel L-lysinium hydrogensquarate monohydrate (1) and the corresponding salt of the L-lysinium dication (2) are synthesized and their structure and properties elucidated in detail spectroscopically, thermally and structurally, using single crystal X-ray diffraction. linear-polarized solid-state IR-spectroscopy oriented colloid Suspensions in nematic host, TGA, DSC, DTA methods, positive and negative HPLC tandem mass spectrometry (ESI-MS center dot MS). Quantum chemical methods are used to calculate the electronic structure, vibrational data and electronic spectra. Two novel structural motifs have been obtained, isolated [(HSq(-))] and tetramolecular [(H(2)Sq)(HSq)(2)(Sq)](4-) anion, respectively. Preliminary second harmonic generation measurements are also performed. (C) 2008 Elsevier B.V. All rights reserved.

引用

页码：246 / 254

页数：9

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