title: Single crystal EPR and optical absorption studies of Cu2+ ion in L-arginine sulphophosphate monohydrate--a nonlinear optical crystal.
abstract: The EPR spectra of Cu2+ ion in L-arginine sulphophosphate monohydrate (LASP), a nonlinear optical material (NLO) have been studied at room temperature. Two magnetically inequivalent interstitial Cu2+ sites in the lattice were identified. The principal values of g- and A-tensors indicate that the symmetry of the electrostatic field around the Cu2+ ion is rhombic. Bonding parameters have been evaluated and the ground state wave function of Cu2+ ion is constructed. The ground state is found to be an admixure of x2 - y2 and 3z2 - r2 orbitals. By correlating EPR and optical absorption spectra the crystal field parameters have been evaluated.
authors.affiliation: Department of Physics, Bharathidasan University, Tiruchirapalli 620024, India. dhanus2k3@yahoo.com
authors.forename: S
authors.initials: S
authors.lastname: Dhanuskodi
authors.forename: P A
authors.initials: PA
authors.lastname: Angeli Mary
authors.forename: P
authors.initials: P
authors.lastname: Sambasiva Rao
mesh_terms: D001120:Arginine / Q000031:analogs & derivatives* / Q000737:chemistry*; D003300:Copper / Q000737:chemistry*; D003460:Crystallization; D004578:Electron Spin Resonance Spectroscopy / Q000379:methods*; D004583:Electrons; D007477:Ions; D008956:Models, Chemical; D008968:Molecular Conformation; D015394:Molecular Structure; D010710:Phosphates / Q000737:chemistry*; D013053:Spectrophotometry / Q000379:methods*; D055672:Static Electricity; D013455:Sulfur / Q000737:chemistry*; D013696:Temperature; D014466:Ultraviolet Rays
chemical_list: D007477:Ions; C501724:L-arginine sulphophosphate monohydrate; D010710:Phosphates; D013455:Sulfur; D003300:Copper; D001120:Arginine