spectra of organic molecules and substances/ dipole momentanthracene derivativesground state9-acetoxyanthracene10-phenyl-9-acetoxyanthraceneThe difference of dipole moments between the excited and ground state was determined to be 1.9 and 1.8 Debye for 9-acetoxyanthracene and 10-phenyl-9-acetoxyanthracene...
Our best values for the dipole moment, the mean dipole polarizability and the anisotropy of the dipole polarizability are z = 0·2783 ea0, e2a20E-1h and ± = 1·15e2a20E-1h. The present value of the dipole moment helps to resolve the discrepancy between the available experimental data ...
The techniques required for the evaluation of dipole moment and polarizability derivatives are discussed. Several alternative formulae are given for the polarizability derivatives.
Librando, V.; Alparone, A.; Minniti, Z. Computational study on dipole moment, polarizability and second hyperpolarizability of nitronaphthalenes. Journal of Molecular Structure: THEOCHEM. 2008, 856, pp. 105-111.Librando V, Alparone A, Minniti Z (2008) Computational study on dipole moment, ...
The model has been parameterized for the elements H, C, N, O, F, and Cl from quantum chemical calculations of the molecular polarizability and dipole moment for 161 molecules at the Hartree鈥揊ock level. The atomic charge has been divided into a nuclear charge and an electronic contribution,...
Many-body perturbation theory and coupled-cluster theory are used to determine the dipole moment, polarizabilities, and their derivatives with respect to internuclear separation for the CO molecule. There are sizable errors in the dipole moment and its derivative when evaluated in the MP4(SDTQ ) ...
containing bonds in 2,6,7-trimethyl-4-methyl-2,6,7-triaza-1-phosphaicyclo[2.2.2]octane (3) and its 1-oxide (4) and 1-sulfide (5) and in 2-dimethylamino-1,3,2-dioxaphosphorinane (2) have been determined from dipole moment, Kerr effect and depolarization of Rayleigh scattering ...
The polarizability α qq′ characterizes a linear response of the molecular dipole moment to the electric field, the hyperpolarizability ß qq′q″ and the higher ones characterize the corresponding non-linear response of the molecular dipole moment. However, a change of the charge distribution ...
Answer and Explanation:1 Polarizability is the measure of the tendency of an atom/molecule to become polarized in the presence of an external electric field. T... Learn more about this topic: Dipole Moment Definition, Formulas & Examples ...
Electronegativity equalization considerations applied to diatomics and ABn molecules of Cnv, symmetry lead to a simple relationship between the static molecular dipole moment m0, the static polarizability α along the principal axis and the electronegativity difference ΔX between atoms A and B. The rela...