四原子锥体分子的力常数计算——ⅱZXY2锥体分子CH3AsX2和(CH3)2AsX (XCl, Br)

E.G. Claeys, G.P. Van Der Kelen
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引用次数: 12

摘要

采用Wilson的FG矩阵法,从实验振动谱和分子参数推导出CH3AsX2和(CH3)2AsX(含XCl, Br)的一般价力常数。由于ZXY2型分子的Venkateswarlu和Sundaram近似在这里不能成立,提出了一种F矩阵元的适应框架。讨论了这一系列类似的XY3和ZXY2分子的物理可接受力常数组。
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Force constant calculations for pyramidal four-atom molecules—II Pyramidal ZXY2 molecules CH3AsX2 and (CH3)2AsX (X  Cl, Br)

General valence force constants of CH3AsX2 and (CH3)2AsX (with X  Cl, Br) have been derived from the experimental vibrational spectra and the molecular parameters, applying the FG matrix method of Wilson.

As the approximation of Venkateswarlu and Sundaram for molecules of the type ZXY2 could not stand here, an adapted framework of F matrix elements is proposed. The group of physically acceptable force constants in this series of analogous XY3 and ZXY2 molecules is discussed.

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