Experimental, theoretical investigations on second order nonlinear optical solicitations of Anilinium Hydrogen Sulfate (AHS)

摘要

A novel nonlinear semiorganic optical single crystalline material, anilinium hydrogen sulfate (AHS), was blended via slow vaporization process. The AHS crystal morphology was predicted to fling light on the development rate and to reveal the prominent facets. The AHS belongs to orthorhombic crystal structure and has Pca2(1) non-centrosymmetric space group. The energy gap, global reactivity descriptors, linear and nonlinear optical (NLO) specifications of AHS at molecular base were calculated at B3LYP/6-31G (d,p) level. The mechanical, optical and thermal tests performed on AHS crystal showed superior properties and its suitability for NLO device applications. In addition, the studies revealed that the AHS crystal is having phase matching behavior.