Mössbauer, crystallographic, and density functional theoretical investigation of the electronic structure of bis-ligated low-spin iron(II) phthalocyanines

European Journal of Inorganic Chemistry

Volumn , Issue 3, 2001, Pages 733-743

  Nemykin, Victor N ^a   Kobayashi, Nagao ^a   Chernii, Victor Y ^b   Belsky, Vitaly K ^c  

^a TOHOKU UNIVERSITY   (Japan)

^b INSTITUTE OF GENERAL AND INORGANIC CHEMISTRY   (Ukraine)

^c KARPOV INSTITUTE OF PHYSICAL CHEMISTRY   (Russian Federation)

Author keywords

Density functional calculations; Iron; M ssbauer spectroscopy; Phthalocyanines

Indexed keywords

ATOMS; CRYSTAL STRUCTURE; ELECTRIC FIELDS; ELECTRONIC STRUCTURE; IRON COMPOUNDS; ISOMERS; LIGANDS; METAL IONS;

AXIAL LIGAND; BASIS SETS; DENSITY-FUNCTIONAL CALCULATIONS; ELECTRONIC.STRUCTURE; IRON IONS; ISOMER SHIFTS; MÖSSBAUE SPECTROSCOPY; PHTHALOCYANINE; QUADRUPOLE SPLITTING; SHIFT-AND;

DENSITY FUNCTIONAL THEORY;

IRON DERIVATIVE; PHTHALOCYANINE DERIVATIVE;

ARTICLE; COMPLEX FORMATION; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; DENSITY; ELECTRON; LIGAND BINDING;

EID: 0035115472     PISSN: 14341948     EISSN: None     Source Type: Journal    
DOI: 10.1002/1099-0682(200103)2001:3<733::AID-EJIC733>3.0.CO;2-2     Document Type: Article

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