Three-dimensional molecular network, [{Cu(dps)(2)(SO4)} center dot 3H(2)O center dot DMF](n), and its different third-order NLO performance (dps=4,4 '-dipyridyl sulfide)

摘要

A new three-dimensional non-interpenetrating coordination polymer, [{Cu(dPS)(2)(SO4)} (.) 3H(2)O (.) DMF](n) (1) (dps = 4,4'-dipyridyl sulfide) was synthesized and structurally characterized. 1 crystallizes in triclinic system, space group P-1 with cell parameters of a = 10.9412(1) angstrom, b = 11.8999(1) angstrom, c = 12.5057(1) angstrom, V = 1400.7(3) angstrom(3), Z = 2, D-c= 1.573 g cm(-3), F(0 0 0) = 686 mu = 1.059 mm(-1). R-1 = 0.0436, wR(2) = 0.1148. In the polymeric architecture, SO42- serve as bridging coligands to connect highly puckered [CU2(dpS)(2)]n frameworks resulting in a 3D motif containing channels for guest molecule inclusion. Quantum chemistry calculation shows that the third-order NLO properties of polymer 1 are controlled by SO42- groups and dps ligands, and metal ions have less influence on the third-4 order NLO properties. (c) 2006 Elsevier Inc. All rights reserved.