Lenoble Géraldine, Lacroix Pascal G., Daran Jean Claude, Di Bella Santo, Nakatani Keitaro
PPSM, Ecole Normale Supérieure de Cachan, Avenue du Président Wilson, 94235 Cachan, France.
Inorg Chem. 1998 May 4;37(9):2158-2165. doi: 10.1021/ic970481w.
A new chiral ligand (H(2)L) based on the condensation of diaminocyclohexane and 4-(diethylamino)salicylaldehyde is reported along with its nickel(II) and manganese(III) complexes. These compounds all crystallize in noncentrosymmetric space groups. Crystal data are as follows. For the ligand (C(28)H(40)N(4)O(2)): monoclinic, I2, a = 15.487(2) Å, b = 8.1988(6) Å, c = 20.958(3) Å, beta = 95.92(1) degrees, Z = 4. For the Ni(II)L complex: monoclinic, P2(1), a = 8.613(2) Å, b = 21.714(4) Å, c = 15.870(4) Å, beta = 91.02(2) degrees, Z = 4. For the Mn(III)LCl complex: orthorhombic, P2(1)2(1)2(1), a = 7.233(2) Å, b = 15.159(4) Å, c = 25.591(7) Å, Z = 4. The manganese derivative exhibits an efficiency 8 times that of urea in second-harmonic generation at 1.9 &mgr;m. INDO/SCI-SOS quantum-chemical calculations predict a sizable molecular nonlinear response and an enhancement of the nonlinearity after metal complexation.
报道了一种基于二氨基环己烷与4-(二乙氨基)水杨醛缩合反应的新型手性配体(H₂L)及其镍(II)和锰(III)配合物。这些化合物均结晶于非中心对称空间群。晶体数据如下。对于配体(C₂₈H₄₀N₄O₂)：单斜晶系，I2，a = 15.487(2) Å，b = 8.1988(6) Å，c = 20.958(3) Å，β = 95.92(1)°，Z = 4。对于Ni(II)L配合物：单斜晶系，P2(1)，a = 8.613(2) Å，b = 21.714(4) Å，c = 15.870(4) Å，β = 91.02(2)°，Z = 4。对于Mn(III)LCl配合物：正交晶系，P2(1)2(1)2(1)，a = 7.233(2) Å，b = 15.159(4) Å，c = 25.591(7) Å，Z = 4。锰衍生物在1.9μm处的二次谐波产生效率是尿素的8倍。INDO/SCI-SOS量子化学计算预测其具有可观的分子非线性响应，并且金属络合后非线性增强。
