含μ_3-O三核混合铁铬醋酸配合物的骨架振动和简正坐标分析  

Skeleton Vibrations and Normal Coordinate Analyses of Trinuclear Mixed-metal(Fe,Cr)μ3-Oxo-acetato Complexes

作　　者：林政炎[1] 张琳娜[1] 郑安[1] 江逢英[1] 

机构地区：[1]中国科学院福建物质结构研究所,福州350002

出　　处：《化学学报》1991年第11期1078-1084,共7页Acta Chimica Sinica

基　　金：中国科学院福州结构化学开放实验室;福建省自然科学基金

摘　　要：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.The IR spectra of two trinuclear mixed-metal μ_3-oxo-acetato complexes [FeCr_2(μ_3-O) (μ-O_2CCH_3)_6 (H_2O)_3]·NO_3·xH_2O and [Fe_2Cr(μ_3-O) (μ-O_2CCH_3)_6 (H_2O)_3]·NO_3·xH_2O were measured in the range 4000 to 100 cm^-1.A simplified general valence fieldwas used in the normal coordinate analyses of their simplified skeleton model FeCr_2O_(16)and Fe_2CrO_(16).The calculated frequencies agree well with the observed ones and themean deviations are all less than 1.50%.The calculated result supports the assignmentsof the vibrational spectra and the rationality of the refined force constants.

关 键 词：铁 铬 醋酸配合物 骨架模型 

分 类 号：O614.811[理学—无机化学]