Various unique coordination patterns of Hg and DFT calculations to determine the formation of a 3-D supramoleculer framework by covalent and noncovalent interactions.
By combining a large pi-conjugated bidentate ligand L: 3,6-dipyrazole-N-ethylcarbazole with HgI(2), an extraordinary supramolecular coordination polymer, [Hg(4)L(2)I(8)](infinity), has been prepared. The crystal structures of the ligand and its coordination polymer were determined by X-ray crystallography, which shows three varied coordination modes especially the rare asymmetric quadruply bridged trinuclear moieties in [Hg(4)L(2)I(8)](infinity). Density functional theory (DFT) calculations (ADF) performed on model dimers show the roles of covalent and noncovalent interactions in establishing the three-dimensional architecture.
Zhou
Hong-Ping
HP
Department of Chemistry, Anhui University, 230039 Hefei, People's Republic of China. zhpzhp@263.net
Wang
Peng
P
Zheng
Ling-Xia
LX
Geng
Wen-Qian
WQ
Yin
Jian-Hui
JH
Gan
Xiao-Ping
XP
Xu
Guo-Yi
GY
Wu
Jie-Ying
JY
Tian
Yu-Peng
YP
Kan
Yu-He
YH
Tao
Xu-Tang
XT
Jiang
Min-Hua
MH