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 50 条

[1] ELECTRONIC-STRUCTURE AND MAGNETIC-PROPERTIES OF THE HEXANUCLEAR OCTAHEDRAL CLUSTER [CO6(MU-3-S)8(PET3)6]BPH4
BENCINI, A
MIDOLLINI, S
ZANCHINI, C
INORGANIC CHEMISTRY, 1992, 31 (11) : 2132 - 2137
[2] ELECTRONIC-STRUCTURE OF PARAMAGNETIC CLUSTERS OF TRANSITION-METAL IONS .3. MAGNETIC-PROPERTIES AND SCATTERED WAVE DESCRIPTION OF THE ELECTRONIC-STRUCTURE OF THE HEXANUCLEAR OCTAHEDRAL CLUSTER [FE6(MU-3-S)8(PET3)6](BPH4)2
BENCINI, A
UYTTERHOEVEN, MG
ZANCHINI, C
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1994, 52 (04) : 903 - 918
[3] CRYSTAL AND MOLECULAR-STRUCTURE, MAGNETIC-PROPERTIES AND SCATTERED-WAVE DESCRIPTION OF THE ELECTRONIC-STRUCTURE OF THE HEXANUCLEAR OCTAHEDRAL CLUSTERS [FE-6(MU(3)-S)(8)(PET(3))(6)][PF6](N) (N=1 OR 2)
BENCINI, A
GHILARDI, CA
MIDOLLINI, S
ORLANDINI, A
RUSSO, U
UYTTERHOEVEN, MG
ZANCHINI, C
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1995, (06): : 963 - 974
[4] REDOX BEHAVIOR OF THE IRON SULFUR CLUSTER [FE6(MU-3-S)8(PET3)6]2+ - SYNTHESIS AND CRYSTAL-STRUCTURE OF THE NEW PARAMAGNETIC MONOPOSITIVE SPECIES [FE6(MU-3-S)8(PET3)6]+ AS ITS [PF6]- SALT
CECCONI, F
GHILARDI, CA
MIDOLLINI, S
ORLANDINI, A
ZANELLO, P
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1987, (04): : 831 - 835
[5] Crystal and molecular structure, magnetic properties and scattered-wave description of the electronic structure of the hexanuclear octahedral clusters [Fe6(ae3-S)8(PEt3)6][PF6] n (n = 1 or 2)
Bencini, A.
Ghilard, C. A.
Midollini, S.
Orlandini, A.
Journal of the Chemical Society.Dalton Transactions, (06):
[6] 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
POLYHEDRON, 1986, 5 (12) : 2021 - 2031
[7] SYNTHESIS, CHARACTERIZATION AND ELECTRONIC-STRUCTURE OF THE NOVEL STELLATED OCTAHEDRAL CLUSTER [CO-6(MU(3)-S)(7)(MU(3)-H)-(PET(3))(6)](+) - CRYSTAL AND MOLECULAR-STRUCTURE OF [CO-6(MU(3)-S)(7)-(MU(3)-H)(PET(3))(6)](0.7)[CO-6(MU(3)-S)(8)(PET(3))(6)](0.3)[BPH(4)]
CECCONI, F
GHILARDI, CA
MIDOLLINI, S
ORLANDINI, A
ZANELLO, P
CINQUANTINI, A
BENCINI, A
UYTTERHOEVEN, MG
GIORGI, G
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1995, (23): : 3881 - 3889
[8] Synthesis and crystal structure of the novel paramagnetic selenium/iron stellated octahedral cluster [Fe-6(mu(3)-Se)(8)(PEt(3))(6)][PF6]
Cecconi, F
Ghilardi, CA
Midollini, S
Orlandini, A
INORGANICA CHIMICA ACTA, 1997, 254 (02) : 387 - 389
[9] ONE ELECTRON REDUCTION OF A COBALT-SULFUR CLUSTER - SYNTHESIS AND MOLECULAR-STRUCTURE OF [CO6(MU3-S)8-(PET3)6].NTHF
CECCONI, F
GHILARDI, CA
MIDOLLINI, S
ORLANDINI, A
INORGANICA CHIMICA ACTA-LETTERS, 1983, 76 (03): : L183 - L184
[10] Synthesis, characterization and electronic structure of the novel `stellated' octahedral cluster [Co6(ae3-S)7(ae3-H)(PEt3)6]$ ++$/. Crystal and molecular structure of [Cu6(ae3-S)7(ae3-H)(PEt3)6]$ -0.7$/[ Co6(ae3-S)8(PEt3)6]0.3[BPh4 ]
J Chem Soc Dalton Trans, (3881):

← 1 2 3 4 5 →