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在4000—100cm~(-1)波段范围内测定了含μ_3-O 三核混合铁铬醋酸配合物[FeCr_2(μ_3-O)(μ-O_2CCH_3)_6(H_2O)_3]·NO_3·xH_2O 和[Fe_2Cr(μ_3-O)-(μ-O_2CCH_3)_6(H_2O)_3·NO_3·xH_2O 的红外光谱.采用简化的普遍价力场对它们简化的骨架模型 FeCr_2O_(16)和 Fe_2CrO_(16)进行了简正坐标分析.振动基频的计算值与观测值符合良好,两者平均偏差均小于1.50%.计算结果支持了振动谱带的归属和精修的力常数的合理性.
In the range of 4000-100cm ~ (-1), the complexes of [Fe_3-O] (μ_O_2CCH_3) _6 (H_2O) _3] · NO_3 · xH_2O with [ The Infrared Spectrum of Fe_2Cr (μ_3-O) - (μ_O_2CCH_3) _6 (H_2O) _3 · NO_3 · xH_2O The simplified universal model of FeCr_2O_ (16) and Fe_2CrO_ (16) Positive coordinate.The calculated values of vibrational fundamental frequency agree well with the observed values, and the average deviation between the two is less than 1.50% .The calculation results support the rationality of the force constants of the vibrational bands attribution and refinement.