THE ELECTRONIC-STRUCTURE OF BA7GA4SB9, A COMPOUND SEEMINGLY PROBING THE LIMITS OF THE ZINTL CONCEPT

被引:24
作者
ALEMANY, P [1 ]
ALVAREZ, S [1 ]
HOFFMANN, R [1 ]
机构
[1] CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
关键词
D O I
10.1021/ic00342a004
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
In Ba7Ga4Sb9, a recently synthesized compound, there is a Ga4Sb,14- two-dimensional net that probes the limits of the Zintl concept. It is made up of one-dimensional alternating four- and eight-membered Ga-Sb rings, linked together into a two-dimensional structure by long but bonding Sb-Sb contacts. Band calculations reveal quite localized bonding and a half-filled Sb-Sb σ* band. A pairing distortion is indicated and should be sought experimentally. © 1990, American Chemical Society. All rights reserved.
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页码:3070 / 3073
页数:4
相关论文
共 15 条
[1]  
Albright T. A., 1985, ORBITAL INTERACTIONS
[2]   THEORETICAL-ANALYSIS OF BONDING IN MONOMERIC AND POLYMERIC C5H5M COMPOUNDS [J].
CANADELL, E ;
EISENSTEIN, O ;
RUBIO, J .
ORGANOMETALLICS, 1984, 3 (05) :759-764
[3]   ON THE LIMITS OF THE ZINTL CONCEPT - THE NEW COMPOUND BA7GA4SB9 [J].
CORDIER, G ;
SCHAFER, H ;
STELTER, M .
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 1986, 534 (03) :137-142
[4]  
CORDIER G, COMMUNICATION
[5]   EFFECTS OF THROUGH-BOND INTERACTION [J].
GLEITER, R .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1974, 13 (11) :696-701
[6]   AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS [J].
HOFFMANN, R .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) :1397-&
[7]   VALENCE ORBITALS OF CYCLOBUTANE [J].
HOFFMANN, R ;
DAVIDSON, RB .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (22) :5699-&
[8]  
Hoffmann R., 1988, SOLIDS SURFACES
[9]  
HUGHBANKS T, 1982, J AM CHEM SOC, V104, P3872
[10]  
Peierls R. E., 1955, QUANTUM THEORY SOLID