ELECTRONIC-STRUCTURE OF PARAMAGNETIC CLUSTERS OF TRANSITION-METAL IONS .2. CRYSTAL AND MOLECULAR-STRUCTURE, SINGLE-CRYSTAL EPR-SPECTRA, AND MAGNETIC-PROPERTIES OF [CO6(MU-3-S)8(PET3)6](PF6)

被引：25

作者：

BENCINI, A ^{[1
]}

GHILARDI, CA ^{[1
]}

ORLANDINI, A ^{[1
]}

MIDOLLINI, S ^{[1
]}

ZANCHINI, C ^{[1
]}

机构：

[1] CNR,IST STUDIO STEREOCHIM & ENERGET COMPOSTI COORDINAZ,I-50127 FLORENCE,ITALY

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1992年 / 114卷 / 25期

关键词：

D O I：

10.1021/ja00051a023

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The X-ray crystal structure of [Co6(mu3-S)8(PEt3)6](PF6) (PEt3 = triethylphosphine) has shown that the crystals are rhombohedric, space group R3BAR, with a = 11.713 (6) angstrom, alpha = 92.15 (4)-degrees, and isomorphous to the homologous iron cluster. The cluster possesses one unpaired electron, and its electronic structure has been investigated through UV-visible electronic absorption spectra, magnetic susceptibility measurements in the temperature range 4.2-300 K, and fluid and frozen solution and single-crystal EPR spectra. The experimental data have been rationalized using semiempirical models (ligand field and extended Huckel) and SCF-Xalpha-SW calculations. A comparison with the EPR spectra of the parent triclinic cluster [Co6-(mu3-S)g(PEt3)6](BPh4) is carried out.

引用

页码：9898 / 9908

页数：11

共 66 条

[11] X-RAY STRUCTURAL EVIDENCE FOR INFLUENCE OF GEOMETRICAL DISTORTION ON SPIN-STATE OF 5-CO-ORDINATE COBALT(II) AND NICKEL(II) COMPLEXES
BIANCHI, A
DAPPORTO, P
FALLANI, G
GHILARDI, CA
SACCONI, L
[J]. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1973, (06): : 641 - 646
[12] ANOMALOUS PARAMAGNETISM OF COPPER ACETATE
BLEANEY, B
BOWERS, KD
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1952, 214 (1119): : 451 - 465
[13] INTERPLAY OF ELECTRON EXCHANGE AND ELECTRON-TRANSFER IN METAL POLYNUCLEAR COMPLEXES IN PROTEINS OR CHEMICAL-MODELS
BLONDIN, G
GIRERD, JJ
[J]. CHEMICAL REVIEWS, 1990, 90 (08) : 1359 - 1376
[14] POLYHEDRAL CLUSTERS IN SOLIDS - THE ELECTRONIC-STRUCTURE OF PENTLANDITE
BURDETT, JK
MILLER, GJ
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (13) : 4081 - 4091
[15] INTRAMOLECULAR FERROMAGNETIC INTERACTIONS IN POLYNUCLEAR METAL-COMPLEXES
CAIRNS, CJ
BUSCH, DH
[J]. COORDINATION CHEMISTRY REVIEWS, 1986, 69 : 1 - 55
[16] APPLICATION OF CHI-ALPHA MULTIPLE-SCATTERING THEORY TO PLANAR ORGANIC-MOLECULES - ONE-ELECTRON PROPERTIES AND IONIZATION-POTENTIALS OF BENZENE, PYRIDINE, PYRAZINE, PYRROLE, AND IMIDAZOLE
CASE, DA
COOK, M
KARPLUS, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (07) : 3294 - 3313
[17] CALCULATION OF ONE-ELECTRON PROPERTIES FROM X-ALPHA MULTIPLE-SCATTERING WAVEFUNCTIONS
CASE, DA
KARPLUS, M
[J]. CHEMICAL PHYSICS LETTERS, 1976, 39 (01) : 33 - 38
[18] A NOVEL PARAMAGNETIC OCTAHEDRAL IRON CLUSTER - SYNTHESIS AND X-RAY STRUCTURAL CHARACTERIZATION OF [FE6(MU-3-S)8(PET3)6][BPH4]2
CECCONI, F
GHILARDI, CA
MIDOLLINI, S
[J]. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1981, (13) : 640 - 641
[19] SYNTHESIS, PROPERTIES AND STRUCTURES OF THE 2 ELECTRON RICH COBALT SULFUR CLUSTERS [CO6(MU-3-S)8(PET3)6]1+,0
CECCONI, F
GHILARDI, CA
MIDOLLINI, S
ORLANDINI, A
ZANELLO, P
[J]. POLYHEDRON, 1986, 5 (12) : 2021 - 2031
[20] CECCONI F, 1987, J CHEM SOC DA, V87, P831

← 1 2 3 4 5 6 7 →