CRYSTAL, MOLECULAR, AND ELECTRONIC STRUCTURE OF TRANS-BISETHANONE, 1-(2-HYDROXYPHENYL)-OXIMATONICKEL(II)

Hatzidimitriou AG.; Laliakantouri M.; Uddin M.

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CRYSTAL, MOLECULAR, AND ELECTRONIC STRUCTURE OF TRANS-BISETHANONE, 1-(2-HYDROXYPHENYL)-OXIMATONICKEL(II)

机译：反式双乙酮，1-（2-羟基苯基）-肟基镍（II）的晶体、分子和电子结构

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The compound Ni(apox)(2), (where apex - denotes the anion of 2-hydroxyacetophenoneoxime, C8H8NO2), was prepared and studied by means of spectroscopic (IR, H-1 NMR, UV-Vis) measurements and theoretical calculations employing the Huckel method. The structure was determined by X-ray diffraction studies. The unit cell is monoclinic (space group P2(1)/c) with dimensions a = 7.845(1), b = 9.911(2), c = 19.371(2) Angstrom, beta=94.37(1)degrees and contains four formula units. Huckel investigations in comparison with the electronic excitation spectrum revealed that the two bands at 2.73 and 2.62 mu m(-1) can be characterised as MLCT, the band at 1.62 mu m(-1) as d-d transition, while the band at 2.14 cm(-1) has a mixed character of both MLC-IT and d-d transition. References: 26

机译：化合物[Ni（apox）（2）]（其中顶点-表示2-羟基苯乙酮肟的阴离子，C8H8NO2）通过光谱（IR，H-1 NMR，UV-Vis）测量和采用Huckel方法的理论计算进行制备和研究。该结构是通过X射线衍射研究确定的。晶胞是单斜晶系（空间群 P2（1）/c），尺寸为 a = 7.845（1），b = 9.911（2），c = 19.371（2）埃，beta=94.37（1）度，包含四个公式单位。Huckel与电子激发光谱的对比表明，2.73和2.62 μ m（-1）处的两个能带可表征为MLCT，1.62 μ m（-1）处的能带为d-d跃迁，而2.14 cm（-1）处的能带具有MLC-IT和d-d跃迁的混合特性。[参考文献： 26]

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《Zeitschrift fur Anorganische und Allgemeine Chemie》 |1997年第4期|627-632|共6页
作者
Hatzidimitriou AG.; Laliakantouri M.; Uddin M.;
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作者单位

ARISTOTELIAN UNIV THESSALONIKI FAC CHEM DEPT GEN & INORGAN CHEM POB 135 GR-54006 THESSALONIKI GREECE;

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正文语种英语
中图分类化学;
关键词
2-hydroxyacetophenoneoxime complex; Nickel complex; Ni(c8h8no2)(2); Crystal structure; Complexes; Nickel(ii); Cu(ii);

机译：2-羟基苯乙酮肟络合物;镍络合物;镍（c8h8no2）（2）;晶体结构;复合物;镍（ii）;铜（ii）;

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机译：ChemInform Abstract: Metal Complexes of the New Ligand 1,2,6,7‐Tetracyano‐3,5‐diimino‐3,5‐ dihydropyrrolizinide, M(II)(C11N7H2)2, as Basic Units for Molecular Materials. Electrochemical and Metal‐Phthalocyanine‐Like Electronic Properties of the Nickel(II) Complex and X‐Ray Crystal Structures of Its Adducts with Dioxane and Tetrathiafulvalene.
2. ChemInform Abstract: First Representative of Thiosalicylidene Oximates. Synthesis and Molecular Structure of Bis(thiosalicylidene‐O‐methyl‐oximato)nickel(II) . [J] . I. S. VASILCHENKO, A. E. MISTRYUKOV, S. G. KOCHINV. S. SERGIENKOM. A. PORAI‐KOSHITSA. D. GARNOVSKII Chem Inform . 1992,第51期

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4. Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, β'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) [O] . Reizo Kato, Cui Hengbo 2012

机译：Cation Dependence of Crystal structure and Band parameters in a series of molecular Conductors, β'-(Cation)[pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)

CRYSTAL, MOLECULAR, AND ELECTRONIC STRUCTURE OF TRANS-BISETHANONE, 1-(2-HYDROXYPHENYL)-OXIMATONICKEL(II)

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