First hyperpolarizability of some nonconjugated donor–acceptor 3D molecules: noncentrosymmetric crystal through conformational flexibility

K Srinivas, S Sitha, VJ Rao, K Bhanuprakash…

Index: Srinivas; Sitha, Sanyasi; Rao, V. Jayathirtha; Bhanuprakash; Ravikumar; Anthony, S. Philip; Radhakrishnan Journal of Materials Chemistry, 2005 , vol. 15, # 9 p. 965 - 973

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Citation Number: 20

Abstract

Four derivatives of 2, 4, 6-tris (benzylamino)-1, 3, 5-triazine are synthesized and detailed computational and nonlinear optical investigations are carried out. Computations indicate near degenerate conformations (C3 and C1 symmetry) in all systems in the gas phase; the dipole moments are also of similar magnitude in all of them except molecule 4 [2, 4, 6-tris (4- fluorobenzylamino)-1, 3, 5-triazine]. HRS measurements of these molecules in solution ...