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Syntheses, Structures, and Theoretical Studies of New Mercury Iodobismuthates: (Et 4 N) 4 (Bi 4 Hg 2 I 20 ) and ( n Bu 4 N) 2 (Bi 2 HgI 10 )
Author(s) -
Yuan MaoWen,
Li LongHua,
Chen Ling
Publication year - 2009
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.200801401
Subject(s) - mercury (programming language) , chemistry , ion , dimer , ammonia , acetone , inorganic chemistry , crystallography , organic chemistry , computer science , programming language
The first two mercury iodobismuthates, (Et 4 N) 4 (Bi 4 Hg 2 I 20 ) ( 1 ) and ( n Bu 4 N) 2 (Bi 2 HgI 10 ) ( 2 ) have been synthesized by the reactions of binary BiI 3 and HgI 2 in a mixed solution of ethanol/acetone with the existence of different ammonia cations. The novel hexanuclear (Bi 4 Hg 2 I 20 ) 4– anion in 1 can be viewed as a dimer of the trinuclear (Bi 2 HgI 10 ) 2– anion in 2 . The DFT calculations reveal that the band gaps of both compounds are determined only by the anionic moieties and therefore are similar, which agrees with the experimental measurements.