[Cu@Sn9]3- and [Cu@Pb9]3-:: Intermetalloid clusters with endohedral Cu atoms in spherical environments

被引:115
作者
Scharfe, Sandra [1 ]
Faessler, Thomas F. [1 ]
Stegmaier, Saskia [1 ]
Hoffmann, Stephan D. [1 ]
Ruhland, Klaus [1 ]
机构
[1] Tech Univ Munich, Dept Chem, D-85747 Garching, Germany
关键词
cluster compounds; copper; density functional calculations; NMR spectroscopy; Zintl anions;
D O I
10.1002/chem.200800429
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A study was conducted to demonstrate the structural and spectroscopic characterization of the first representatives of clusters, containing endohedral copper (Cu) atoms in spherical environment of nine tin or lead atoms. The compounds used in the study included (K(2,2,2)crypt)3(Cu@E9)(dmf)2 and lead that crystallized in the monoclinic space group, with two dimethylformamide (dmf) solvate molecules per formula unit. It was observed that the unit cell parameter of the lead compound are about 0.07 Å longer than those of the isomorphic tin compound. Nine crystallographically independent E atoms of the anions built a distorted tricapped trigonal prism, with approximate C2v symmetry.
引用
收藏
页码:4479 / 4483
页数:5
相关论文
共 68 条
[1]  
[Anonymous], Gaussian 03, Revision C.02 Gaussian, inc., wallingford, ct
[2]  
[Anonymous], 1997, SHELXS 97 PROGRAM RE
[3]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[4]   Stable copper-tin cluster compositions from high-temperature annealing [J].
Breaux, GA ;
Hillman, DA ;
Neal, CM ;
Jarrold, MF .
JOURNAL OF PHYSICAL CHEMISTRY A, 2005, 109 (39) :8755-8759
[5]   Syntheses, crystal structures, and density functional theory calculations of the closo-[1-M(CO)3(η4-E9)]4- (E = Sn, Pb; M = Mo, W) cluster anions and solution NMR spectroscopic characterization of [1-M(CO)3(η4-Sn9)]4-(M = Cr, Mo, W) [J].
Campbell, J ;
Mercier, HPA ;
Franke, H ;
Santry, DP ;
Dixon, DA ;
Schrobilgen, GJ .
INORGANIC CHEMISTRY, 2002, 41 (01) :86-107
[6]   HOMOPOLYATOMIC ANIONS - THE SYNTHESIS AND CHARACTERIZATION OF THE NOVEL PARAMAGNETIC NONASTANNIDE(3-) ANION SN93-, A D3H CLUSTER WITH 21 SKELETAL ELECTRONS [J].
CRITCHLOW, SC ;
CORBETT, JD .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (17) :5715-5716
[7]  
CUI LF, 2007, ANGEW CHEM, V119, P756
[8]   Endohedral stannaspherenes M@Sn12-:: A rich class of stable molecular cage clusters [J].
Cui, Li-Feng ;
Huang, Xin ;
Wang, Lei-Ming ;
Li, Jun ;
Wang, Lai-Sheng .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2007, 46 (05) :742-745
[9]   Pb122-:: Plumbaspherene [J].
Cui, Li-Feng ;
Huang, Xin ;
Wang, Lei-Ming ;
Li, Jun ;
Wang, Lai-Sheng .
JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (34) :10169-10172
[10]   Sn122-:: Stannaspherene [J].
Cui, Li-Feng ;
Huang, Xin ;
Wang, Lei-Ming ;
Zubarev, Dmitry Yu. ;
Boldyrev, Alexander I. ;
Li, Jun ;
Wang, Lai-Sheng .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (26) :8390-8391