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机译:(TBA)(2)[(MO6X8I)Y-6(A)]-X-I = CL,BR Y-A = NCO,NCSE的合成,晶体结构,振动光谱和正态坐标分析[德语]
, a = 11.880(5), b = 11.972(5), c = 12.107(5) Angstrom, alpha = 78.021(5)degrees, beta = 78.320(5)degrees, gamma = 62.660(5)degrees, Z = 1), (TBA)(2)[(Mo6Cl8i)(NCSe)(6)(a)]. 2Et(2)O (3) (monoclinic, space group P2(1), a = 11.30(2), b = 16.472(4), c = 20.134(3) Angstrom, beta = 95.43(3)degrees, Z = 2) and (TBA)(2)[(Mo6Br8i)(NCSe)(6)(a)]. 2Me(2)CO (4) (triclinic, space group P1, a = 11.014(2), b = 12.72(2), c = 13.323(1) Angstrom, alpha = 78.48(2)degrees, beta = 81.92(1)degrees, gamma = 83.11(4)degrees, Z = 1) reveal that the cyanate and selenocyanate groups are coordinated via the N atoms. The (MoNC) angles are 160.3 degrees (1), 168.1 degrees and 153.8-155.5 degrees (2), 166.1 degrees and 172.6 degrees (3), 172.9 degrees and 147.1-165.1 degrees (4), indicating apical and equatorial groups of ligands in (2), (3), (4). Using the molecular parameters of the X-ray determinations the low temperature (10 K) IR and Raman spectra of the (TEA) cluster salts are assigned by normal coordinate analyses based on a modified valence force field. The (MoN) valence force constants are 2.44 (1), 2.45 (2), 2.02 (3), 1.92 mdyne/Angstrom (4). [References: 16]
,a = 11.880(5),b = 11.972(5),c = 12.107(5)埃, alpha = 78.021(5)度,beta = 78.320(5)度,gamma = 62.660(5)度,Z = 1),(TBA)(2)[(Mo6Cl8i)(NCSe)(6)(a)]。 2Et(2)O(3)(单斜晶系,空间群P2(1)/ n,a = 11.30(2),b = 16.472(4),c = 20.134(3)埃,beta = 95.43(3)度, Z = 2)和(TBA)(2)[(Mo6Br8i)(NCSe)(6)(a)]。 2Me(2)CO(4)(三斜线,空间群P1,a = 11.014(2),b = 12.72(2),c = 13.323(1)埃,alpha = 78.48(2)度,beta = 81.92(1 )度,伽马= 83.11(4)度,Z = 1)表明氰酸酯基和硒氰酸酯基团是通过N原子配位的。 (MoNC)角为160.3度(1),168.1度和153.8-155.5度(2),166.1度和172.6度(3),172.9度和147.1-165.1度(4),表示配体的顶端和赤道基团在(2),(3),(4)中。使用X射线测定的分子参数,基于修正的化合价场通过正态坐标分析分配(TEA)簇盐的低温(10 K)IR和拉曼光谱。 (MoN)化合价常数为2.44(1),2.45(2),2.02(3),1.92 mdyne /埃(4)。 [参考:16]
Octa-mu(3)-chloro-hexaisocyanato-octahedro-hexamolybdate(2-); Octa-mu(3)-bromo-hexaisocyanato-octahedro-hexamolybdate(2-); Octa-mu(3)-chloro-hexaisoselenocyanato-octahedro-hexamolybdate(2-); Octa-mu(3)-bromo-hexaisoselenocyanato-octahedro-hexamolybdate(2-); Synthesis; crystal structure; Vibrational spectra; Normal coordinate analysis; Force constants; Cluster; Cl;
机译:(TBA)(2)[(MO6X8I)Y-6(A)]-X-I = CL,BR Y-A = NCO,NCSE的合成,晶体结构,振动光谱和正态坐标分析[德语]
机译:[(MO6BR8I)Y-6(A)](2-)Y-A = CN,NCS的制备,晶体结构,振动光谱和正态坐标分析[德语]
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