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Calculation of the Dipole Moments for Square Pyramidal Complexes

机译:方形金字塔形络合物的偶极矩的计算

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Modified technique in calculating the dipole moments for square pyramidal complexes has been developed and then the dipole moments for bisacetylacetonato(oxo)vanadium(Ⅳ) complexes are calculated, adopting this approach. The calculated dipole moments for bisacetylacetonato(oxo)vanadium(Ⅳ) in benzene and bisacetylacetonato(oxo)vanadium in dioxane solutions are in agreement with the observed values. The calculated dipole moments of bisacetylacetonato(oxo)vanadium(Ⅳ) in dioxane solution is slightly higher than that of bisacetylacetonato(oxo)vanadium(Ⅳ) in benzene. Such a result may suggest that bisacetylacetonato(oxo)vanadium(Ⅳ) interact with dioxane molecule to form bisacetylacetonato(oxo)vanadium(Ⅳ)-dioxane adduct. This calculated dipole moments are also in agreement with the experimental results.
机译:提出了一种改进的计算方锥络合物偶极矩的技术,然后采用这种方法计算了双乙酰丙酮(氧代)钒(Ⅳ)络合物的偶极矩。苯中双乙酰丙酮(氧)钒(Ⅳ)和二恶烷溶液中双乙酰丙酮(氧)钒的计算偶极矩与实测值相符。二恶烷溶液中双乙酰丙酮(氧)钒(Ⅳ)的偶极矩计算值略高于苯中双乙酰丙酮(氧)钒(Ⅳ)的偶极矩。该结果表明,双乙酰丙酮(氧)钒(Ⅳ)-二恶烷加合物与双乙酰丙酮(氧)钒(Ⅳ)相互作用。计算出的偶极矩也与实验结果一致。

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