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首页> 外文期刊>Zeitschrift fur Anorganische und Allgemeine Chemie >CRYSTAL, MOLECULAR, AND ELECTRONIC STRUCTURE OF TRANS-BIS[ETHANONE, 1-(2-HYDROXYPHENYL)-OXIMATO]NICKEL(II)
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CRYSTAL, MOLECULAR, AND ELECTRONIC STRUCTURE OF TRANS-BIS[ETHANONE, 1-(2-HYDROXYPHENYL)-OXIMATO]NICKEL(II)

机译:反式双[乙酮,1-(2-羟基苯)-氧代] NICKEL(II)的晶体,分子和电子结构

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摘要

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:通过光谱(IR,H-1 NMR,UV-Vis)测量和理论研究,制备并研究了化合物[Ni(apox)(2)](其中顶点-表示2-羟基苯乙酮肟的阴离子,C8H8NO2)。使用Huckel方法进行计算。通过X射线衍射研究确定结构。晶胞是单斜晶(空间群P2(1)/ c),尺寸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与电子激发光谱的比较研究表明,在2.73和2.62μm(-1)处的两个谱带可以表征为MLCT,在1.62μm(-1)处的谱带可以作为dd跃迁,而在2.14 cm处的谱带可以表征为MLCT。 (-1)具有MLC-IT和dd转换的混合特征。 [参考:26]

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