Linear and Nonlinear Optical Properties of Non-Centrosymmetric Crystals of Substituted Aliphatic Secondary Amines

This paper like contributions to leading developments of nonlinear optical materials research aims for interdisciplinary readership and recognizing experimental and theoretical crystallographic, linear and nonlinear optical properties of non-centrosymmetric crystals of substituted aliphatic secondary amines as prospective templates for technological application. It deals with crystal structure of (2-piperazin-1-yl-ethyl)-nitrimine dihydrate (1) reported first, herein, that can be solved into both the P-1 and P1 space groups and 3,3,5-trimethyl-5-((nitroamino)methyl)cyclohexanaminium hydroxide (2) that could be solved into Pc and Pca21 ones. Crystals of (1) and (2) exhibit optical transparency within 190–1100 nm. Comparative analysis with data on novel crystal structure of (2-piperazin-1-yl-ethyl)-carbamic acid dihydrate (3) is also carried out. There is utilizes high resolution single crystal X-ray diffraction, high accuracy quantum chemical methods for in-depth understanding of relation among molecular and crystal structures, crystallographic packing, symmetry, linear optical and nonlinear optical properties. There are also used electronic and Fourier transform infrared vibration spectroscopy. Organic material research might provide evolutionary development in the face of innovative change of photonics technologies. The research effort, so far, has shown that they are mainly rigid crystals. However, future photonics technologies mandate organic flexible devices; thus, opening research avenue for implementation of organic photonics and electronics devices.