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Inorg Chem. 1998 May 04;37(9):2158-2165. doi: 10.1021/ic970481w.

Syntheses, Crystal Structures, and NLO Properties of New Chiral Inorganic Chromophores for Second-Harmonic Generation.

Inorganic chemistry

Géraldine Lenoble, Pascal G. Lacroix, Jean Claude Daran, Santo Di Bella, Keitaro Nakatani

Affiliations

  1. PPSM, Ecole Normale Supérieure de Cachan, Avenue du Président Wilson, 94235 Cachan, France.

PMID: 11670370 DOI: 10.1021/ic970481w

Abstract

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.

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