The time evolution of the degree of fluorescence depolarization of a nonlinear molecular dimer has been investigated on the basis of a newly introduced nonlinear stochastic Liouville equation. Examples of the effects of the interplay of nonlinearity with nonadiabaticity and thermal dissipation have been provided to serve as a guide to experimental observations.


Vibrational spectroscopy of hydrogen-bonded systems: Six-dimensional simulation of the IR spectrum of F-(H2O) complex
Toffolı, Danıele; Sparta, Manuel; Christiansen, Ove (Elsevier BV, 2011-06-24)
The vibrational dynamics of the F-(H2O) complex is studied using highly accurate six-dimensional molecular potential energy and dipole moment surfaces calculated at the CCSD (T)/cc-pVQZ and CCSD (T)/augcc-pVTZ levels with a multiresolution approach. The extent of mode-coupling is investigated with full vibrational configuration-interaction (FVCI) calculations. Coriolis coupling effects are also included with the aim to obtain quantitative agreement with the experimental data available. The vibrational absor...
Correcting the azimuthal angle concept: nonexistence of an upper bound
Gutman, I; Türker, Burhan Lemi (Elsevier BV, 2003-09-05)
One of the present authors introduced a parameter, named 'azimuthal angle' phi, aimed at distinguishing between isomeric molecules, especially between isomers whose molecular graphs are isospectral. In a recent Letter [Chem. Phys. Lett. 364 (2002) 463] an upper bound for phi was established. Unfortunately, this upper bound is erroneous. We now show that, based on the considerations in the mentioned Letter, the azimuthal angle cannot be determined and it may assume any value between 0 and 2pi.
Mesoscopic nonequilibrium thermodynamics of solid surfaces and interfaces with triple junction singularities under the capillary and electromigration forces in anisotropic three-dimensional space
Ogurtani, TO (AIP Publishing, 2006-04-14)
A theory of irreversible thermodynamics of curved surfaces and interfaces with triple junction singularities is elaborated to give a full consideration of the effects of the specific surface Gibbs free energy anisotropy in addition to the diffusional anisotropy, on the morphological evolution of surfaces and interfaces in crystalline solids. To entangle this intricate problem, the internal entropy production associated with arbitrary virtual displacements of triple junction and ordinary points on the interf...
The valence electronic structure and conformational flexibility of epichlorohydrin
Stranges, S.; Alagia, M.; Decleva, P.; Stener, M.; Fronzoni, G.; Toffolı, Danıele; Speranza, M.; Catone, D.; Turchini, S.; Prosperi, T.; Zema, N.; Contini, G.; Keheyan, Y. (Royal Society of Chemistry (RSC), 2011-01-01)
The electronic structure of epichlorohydrin is investigated in the whole valence region by a combined experimental and theoretical study. The issue of controversial assignments of the molecular electronic structure is here addressed. Photoelectron spectra (PES) and Threshold Photoelectron spectra (TPES) of room temperature molecules in the gas phase are recorded. Geometries and energies of the stable conformers due to internal rotation of the C-C-C-Cl dihedral angle, gauche-II (g-II), gauche-I (g-I), and ci...
Structural and electronic properties of ZnmCdn microclusters: density functional theory calculations
Erkoç, Şakir (Elsevier BV, 2003-02-28)
The structural and electronic properties of isolated neutral ZnmCdn clusters for m + n less than or equal to 3 have been investigated by performing density functional theory calculations at B3LYP level. The optimum geometries, vibrational frequencies, electronic structures, and the possible dissociation channels of the clusters considered have been obtained.
Citation Formats
D. GULEN, “FLUORESCENCE DEPOLARIZATION IN NONLINEAR MOLECULAR PAIRS,” CHEMICAL PHYSICS, pp. 123–128, 1991, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/63440.