Reinvestigation of dipole moments of para substituted phenyl isocyanates and determination of dipole moment of NCO group by optimization procedure

1989 ◽  
Vol 54 (6) ◽  
pp. 1441-1445 ◽  
Author(s):  
Ivan Danihel ◽  
Falk Barnikol ◽  
Pavol Kristian
Keyword(s):  
Dipole Moment ◽  
Benzene Ring ◽  
Dipole Moments ◽  
Optimization Procedure

The values of dipole moments of a series of p-substituted phenyl isocyanates have been determined by the method of Halverstadt and Kumler. The experimental dipole moments measured have been used for determination of magnitude and direction of the group dipole moment of NCO group bound to a benzene ring (7·93.10-30 C m, 21 °C) by means of a simple optimization procedure.

Determination of the dipole moments of molecular ions from the rotational Zeeman effect by tunable far-infrared laser spectroscopy

1988 ◽  
Vol 324 (1578) ◽  
pp. 109-119 ◽  
Keyword(s):  
Dipole Moment ◽  
Experimental Determination ◽  
Laser Spectroscopy ◽  
Dipole Moments ◽  
Zeeman Effect ◽  
Far Infrared ◽  
Molecular Ions ◽  
Far Infrared Laser ◽  
Infrared Laser Spectroscopy

The details of the first experimental determination of the dipole moment of a molecular ion from the rotational Zeeman effect are presented, along with an assessment of the ultimate accuracy of the technique.

Determination of dipole moment values of anisotropic molecules using Brot's formalism

1990 ◽  
Vol 68 (9) ◽  
pp. 1523-1526
Author(s):  
P. Brito ◽  
M. Mechetti
Keyword(s):  
Molecular Structure ◽  
Dipole Moment ◽  
Dipole Moments ◽  
Dilute Solutions ◽  
Molecular Anisotropy ◽  
Derivatives Of ◽  
Best Parameters

A method for the determination of dipole moment values based on Brot's theory is proposed. It takes into account the influence of the molecular anisotropies of shape and polarizability on the permittivity of a mixture. Starting from measurements performed on dilute solutions and from the knowledge of the molecular structure of some chlorinated derivatives of α-cyanostilbene and 1,3 derivatives of benzene, the best parameters of an ellipsoid used for the representation of a polar anisotropic molecule are determined. The dipole moments obtained, using benzene and tetrachloromethane as solvents, are finally compared to values from the literature. Keywords: dipole moment, Brot's formalism, molecular anisotropy.

The Determination of Molecular Quantities from Measurements on Macroscopic Systems.III. Electro-optical Absorption Measurements on Michler's Ketone

1982 ◽  
Vol 37 (12) ◽  
pp. 1409-1415 ◽  
Author(s):  
Wolfgang Liptay ◽  
Jürgen Becker
Keyword(s):  
Dipole Moment ◽  
Excited State ◽  
Optical Absorption ◽  
Dipole Moments ◽  
Transition Dipole Moment ◽  
Spherical Approximation ◽  
Approximation Model ◽  
Transition Dipole ◽  
Absorption Measurements

AbstractSome bulk quantities appropriate for the description of electro-optical absorption measurements on macroscopic systems are defined and their properties are discussed. Based on three molecular models (Lorentz model, Onsager model in spherical approximation and in ellipsoidal approximation) model molar quantities are introduced, which depend on intrinsic properties of the molecule (dipole moments and polarizabilities in the ground and excited state, transition dipole moment and transition polarizability). The relations will be applied for the evaluation of the results of electro-optical absorption measurements on Michler's ketone in cyclohexane in a wavenumber interval near 30 · 105 m-1 . The angles between the dipole moments in the ground and the excited state and the transition dipole moment will be determined; the magnitude of the dipole moment in the corresponding excited state is μaG = 30 · 10-30 Cm. The data show that the symmetry of a solute Michler's ketone molecule most probably corresponds, at least approximately, to the pointgroup Cs.

scholarly journals The determination of the angles between covalencies, from measurements of electric dipole moment

1933 ◽  
Vol 140 (842) ◽  
pp. 562-579 ◽  
Keyword(s):  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Experimental Work ◽  
Electric Dipole ◽  
Dipole Moments ◽  
Present Communication ◽  
Electric Dipole Moments ◽  
The Subject ◽  
The One

Of the methods which have been devised for the measurement of angles between covalencies, the one based on measurements of electric dipole moments is among the most valuable. Descriptions of considerable experimental work on the subject have been published by several authors, but the discussions of the basis of the method, its further possible applications, the possible errors and their probable importance, are not only scattered, but incomplete. It therefore appeared desirable that a more complete, general treatment of these matters should be given, and the present communication is an attempt to do this.

Electric dipole moments of ortho-, meta-, para-, and penta-fluorostyrene molecules

1968 ◽  
Vol 46 (18) ◽  
pp. 2961-2962 ◽  
Author(s):  
E. Bock ◽  
D. Iwacha
Keyword(s):  
Dipole Moment ◽  
Benzene Ring ◽  
Electric Dipole ◽  
Fluorine Atom ◽  
Benzene Solution ◽  
Dipole Moments ◽  
Electric Dipole Moments ◽  
Molecular Dipole ◽  
Molecular Dipole Moment

The dipole moments of ortho-, meta-, para-, and penta-fluorostyrene were determined in dilute benzene solution at 25 °C. It was found that the magnitude of the molecular dipole moment depends on the position of the fluorine atom in the benzene ring.

Energies and Electric Dipole Moments of the Bound Vibrational States of HN2+ and DN2+

2008 ◽  
Vol 73 (6-7) ◽  
pp. 873-897 ◽  
Author(s):  
Vladimír Špirko ◽  
Ota Bludský ◽  
Wolfgang P. Kraemer
Keyword(s):  
Dipole Moment ◽  
Nearest Neighbor ◽  
Energy Surface ◽  
Dipole Moments ◽  
Three Dimensional ◽  
Vibrational States ◽  
Spacing Distribution ◽  
Triatomic Molecules ◽  
Vibrational Levels ◽  
Different Levels

The adiabatic three-dimensional potential energy surface and the corresponding dipole moment surface describing the ground electronic state of HN2+ (Χ1Σ+) are calculated at different levels of ab initio theory. The calculations cover the entire bound part of the potential up to its lowest dissociation channel including the isomerization barrier. Energies of all bound vibrational and low-lying ro-vibrational levels are determined in a fully variational procedure using the Suttcliffe-Tennyson Hamiltonian for triatomic molecules. They are in close agreement with the available experimental numbers. From the dipole moment function effective dipoles and transition moments are obtained for all the calculated vibrational and ro-vibrational states. Statistical tools such as the density of states or the nearest-neighbor level spacing distribution (NNSD) are applied to describe and analyse general patterns and characteristics of the energy and dipole results calculated for the massively large number of states of the strongly bound HN2+ ion and its deuterated isotopomer.

A new computational strategy to calculate the surface energy of a dipolar crystal surface

CrystEngComm ◽  
2021 ◽  
Author(s):  
Marco Bruno ◽  
Stefano Ghignone
Keyword(s):  
Dipole Moment ◽  
Surface Energy ◽  
Energy Surface ◽  
Crystal Surface ◽  
Computational Strategy

Determination of the energy surface, γ_((hkl)) (J/m2), of crystal polar faces is a very difficult task, for the presence of a dipole moment perpendicular to these surfaces that prevents the...

scholarly journals DERIVATION OF GENERALIZED THOMAS–BARGMANN–MICHEL–TELEGDI EQUATION FOR A PARTICLE WITH ELECTRIC DIPOLE MOMENT

2013 ◽  
Vol 28 (29) ◽  
pp. 1350147 ◽  
Author(s):  
TAKESHI FUKUYAMA ◽  
ALEXANDER J. SILENKO
Keyword(s):  
Dipole Moment ◽  
Electromagnetic Fields ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Dipole Moments ◽  
Classical Equation ◽  
Spin Motion ◽  
Electric Dipole Moments ◽  
Momentum Direction ◽  
Telegdi Equation

General classical equation of spin motion is explicitly derived for a particle with magnetic and electric dipole moments in electromagnetic fields. Equation describing the spin motion relative to the momentum direction in storage rings is also obtained.

Sign in / Sign up

Export Citation Format

Share Document