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Structure and resonance raman spectrum of the linear metal‐chain compound bis(1,2‐benzoquinonedioximato)‐palladium triiodide, Pd(bqd) 2 I 0.5 or Pd(bqd) 2 (I 3 ) 0.17
Author(s) -
Mégnamisibélombé M.
Publication year - 1981
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.19814730222
Subject(s) - crystallography , chemistry , crystal structure , raman spectroscopy , diffractometer , tetragonal crystal system , palladium , metal , stereochemistry , physics , optics , catalysis , organic chemistry , biochemistry
The lattice structure of the title compound has been examined by single‐crystal X‐ray diffraction using MoKα radiation and a Syntex P2 1 , computer‐controlled diffractometer. The crystal data are: (PdC 12 H 10 N 4 O 4 ) 2 I, mol. weight = 888.19; tetragonal space group P4/mcc (D 4h 2 ); a = b = 15.977 Å, c = 6.371 Å; Z = 2; V = 1626.3 Å 3 ; D x = 1.81 g/cm 3 , D obs = 1.79 g/cm 3 . The lattice crystallizes with extended straight chains of partially oxidized central Pd ions (whose average oxidation number is nearly +2.17), i. e., the planar Pd(bqd) 2 complexes stack one on top of the other along the c axis with a regular Pd—Pd spacing of 3.185 Å (1/2 c). Resonance Raman spectra of the compound (polycrystalline samples) were recorded at room temperature using a laser excitation source (ν 0 = 5145 Å). The spectra exhibit exclusively the absorption bands characteristic of unsymmetrical I 3 −ions. The results suggest that the contribution of the iodine chains to the electronic solid state anisotropies in this type of quasi‐one‐dimensional materials is negligibly small.