New Nonlinear Optical Crystal of Rhodamine 590 Acid Phthalate.

ABSTRACT: The synthesis and crystal structure of rhodamine 590 acid phthalate (RhAP) have been reported. This novel solid-state rhodamine derivative not only has a longer fluorescence lifetime compared to rhodamine solid-state matrixes where emission is quenched but also possesses strong nonlinear optical characteristics. The static and dynamic first- and second-order hyperpolarizabilities were calculated using the time-dependent density functional theory at the B3LYP/6-31+G* level. The computed static values of β and γ of RhAP by the X-ray diffraction (XRD) structure were 31.9 × 10^-30 and 199.0 × 10^-36 esu, respectively. These values were about 62 times larger than the corresponding values in urea, an already well-known nonlinear optical material. The second-order hyperpolariz

SUBMITTER: Nariyangadu SB 

PROVIDER: S-EPMC7450614 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature