The generalized Thomas-Kuhn sum rules are used to eliminate the explicit dependence on dipolar terms in the traditional sum-over-states (SOS) expression for the second hyperpolarizability to derive a new, yet equivalent, SOS expression. This new dipole-free expression may be better suited to study the second hyperpolarizability of nondipolar systems such as quadrupolar, octupolar, and dodecapol...

In this study we report on the electronic and vibrational (hyper)polarizabilities of donor-acceptor-substituted azobenzene. It is observed that both electronic and vibrational contributions to the electric dipole first hyperpolarizability of investigated photoactive molecule substantially depend on the conformation. The contributions to the nuclear relaxation first hyperpolarizability are found...

The unexpectedly high quadratic hyperpolarizability values of simple Ru and Pt alkynyl complexes have been measured by the EFISH technique, and this prompted us to investigate their potential as molecular building blocks for composite films with second harmonic generation properties.

• Two-photon absorption study of terpenoid-like chalcones derivatives. First hyperpolarizability at 1064 nm Phenomenological approaches for two-photon and first hyperpolarizability. ( Δ μ 01 Evaluation difference permanent dipole moment non-fluorescent compounds. Organic molecules exhibiting second third-order nonlinear optical properties (NLOP) allow several applications in optics photonics. A...

This work aims to determine structural, crystal properties and molecular spectroscopy of three N-ferrocenylmethyl-N-phenylamide using DFT method. The computed bond lengths, angles dihedral the titled molecules were calculated compared with experimental geometrical parameters, amount positive negative charges Mulliken charge electrostatic potential map (MESP) also investigated. theoretical vibra...

The third-order nonlinear-optical susceptibility of dimethyl ether, (CH3)2O, has been measured in the gas phase over the wavelength range 488 nm < λ < 1064 nm using the technique of gas-phase electric-field-induced second-harmonic generation with periodic phase matching and with N2 as the reference gas. Measurements span a range of temperature, which allows for separation of the temperature-ind...

Molecular properties leading to second harmonic generation in chiral media in the electric dipole approximation for the cases of axial and biaxial symmetry are described. The components of the hyperpolarizability tensor that transform like a second-rank pseudotensor (L ˆ 2) and a third-rank tensor (L ˆ 3) contribute. The sum-over-states quantum formula for the hyperpolarizability is used to ill...

All independent components of all electric polarizability and hyperpolarizability tensors up to the fourth rank have been calculated near the Hartree-Fock limit for L i2(l a 2 l a l 2 a l , X l 27+). Many of the molecular properties reported in this paper appear for the first time in the literature. Our values for the isotropic components of the C, B and y hyperpolarizabilities are 1487 e2 öo E...