Electronic structure and chemical bonding in lead hexacyanoferrate

Authors
Ryzhkov, MV Denisova, TA Zubkov, VG Maksimova, LG
Citation
Mv. Ryzhkov et al., Electronic structure and chemical bonding in lead hexacyanoferrate, J STRUCT CH, 41(6), 2000, pp. 927-933
Citations number
12
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF STRUCTURAL CHEMISTRY
ISSN journal
00224766 → ACNP
Volume
41
Issue
6
Year of publication
2000
Pages
927 - 933
Database
ISI
SICI code
0022-4766(200011/12)41:6<927:ESACBI>2.0.ZU;2-3
Abstract
This paper presents a cluster-DV study of the electronic structure of a lar ge fragment of rite crystal lattice of a new compound Pb2Fe(CN)(6) having a trigonal structure. The electronic energy spectrum and electron density di stribution between Fe-C, C-N, and Pb-N are discussed.