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Synthesis, Structure, Photoluminescence, and Theoretical Calculation of an rtl‐type Zinc(II) Compound with Linear Trinuclear [Zn 3 (COO) 4 (μ 2 ‐H 2 O) 2 ] Subunits
Author(s) -
Chen YanXue,
Tang KangKang,
Wang Xin,
Chen BingYi,
Qin GuoQiang,
Yang JinHui
Publication year - 2014
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.201400213
Subject(s) - zinc , photoluminescence , luminescence , crystallography , chemistry , tricarboxylic acid , crystal structure , single crystal , solvent , type (biology) , materials science , organic chemistry , optoelectronics , citric acid cycle , enzyme , ecology , biology
The zinc(II) coordination polymer [Zn 3 (BPT) 2 (μ 2 ‐H 2 O) 2 (H 2 O) 2 ] n · n (DMA) ( 1 ) (H 3 BPT = biphenyl‐3,4′,5‐tricarboxylic acid, DMA = N,N ′‐dimethylactamide) was obtained by the solvothermal reaction of H 3 BPT with Zn(NO 3 ) 2 in DMA/H 2 O mixed solvent. Single crystal X‐ray analysis reveals that compound 1 has a complicated 3D framework containing linear trinuclear [Zn 3 (COO) 4 (μ 2 ‐H 2 O) 2 ] clusters as building subunits, which can be simplified into a (3,6)‐connected rtl topological network with the Schläfli symbol {4.6 2 } 2 {4 2 .6 10 .8 3 }. The calculated results of total and partial density of states (DOS) indicate that the luminescence of 1 mainly originates from intraligand charge transfer.