New Nonlinear Optical Crystal of Rhodamine 590 Acid Phthalate.

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.

Pyrrolidinium-2-carboxyl-ate-4-nitro-phenol (1/2).

In the title compound, C5H9NO2·2C6H5NO3, the pyrrolidine ring of the pyrrolidinium-2-carboxyl-ate zwitterion adopts a twisted conformation on the -CH2-CH2- bond adjacent to the N atom. The mean plane of this pyrrolidine ring forms dihedral angles of 25.3 (3) and 32.

Morpholine-4-nitro-phenol (1/2).

In the title adduct, 2C6H5NO3·C4H9NO, the morpholine ring adopts a chair conformation. The dihedral angle between the two nitro-phenol rings is 69.47 (9)°.