The dipole moment of water. I. Dipole moments and hyperfine properties of H2O and HDO in the ground and excited vibrational states

1991 ◽  
Vol 94 (9) ◽  
pp. 5875-5882 ◽  
Author(s):  
Shelley L. Shostak ◽  
William L. Ebenstein ◽  
J. S. Muenter
Keyword(s):  
Dipole Moment ◽  
Dipole Moments ◽  
Vibrational States ◽  
Hyperfine Properties

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.

High Field Stark Effects in CH and NH

1974 ◽  
Vol 52 (15) ◽  
pp. 1429-1437 ◽  
Author(s):  
E. A. Scarl ◽  
F. W. Dalby
Keyword(s):  
Dipole Moment ◽  
Electric Fields ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
High Field ◽  
Dipole Moments ◽  
Optical Spectra ◽  
Vibrational States ◽  
Stark Effects

A LoSurdo discharge was used to apply electric fields of up to 290 kV/cm to a mixture of cyanogen and hydrogen, and to ammonia, permitting the observation of Stark effects in the optical spectra of the CH and NH molecules, respectively. These experiments yielded the following values of the molecular electric dipole moment in the ground vibrational states: μ(CH, A2Δ) = 0.887 ± 0.045 D, and μ(NH, X3Σ) = 1.389 ± 0.075 D. A table of experimental and theoretical dipole moments of first-row hydrides is included.

Electric dipole moment of X2Π OH and OD in several vibrational states

1984 ◽  
Vol 62 (12) ◽  
pp. 1502-1507 ◽  
Author(s):  
K. I. Peterson ◽  
G. T. Fraser ◽  
W. Klemperer
Keyword(s):  
Dipole Moment ◽  
Electric Dipole ◽  
Vibrational State ◽  
Molecular Beam ◽  
Dipole Moments ◽  
Vibrational States ◽  
Electric Resonance ◽  
Resonance Technique ◽  
The Difference ◽  
Theoretical Results

Dipole moments are measured for OH (2Π) in the ν = 0, 1, and 2 vibrational states and for OD in the ν = 0 and 1 states using the molecular beam electric resonance technique. These are listed in the table below.[Formula: see text]A very accurate value of 0.00735(7) D is obtained for the difference in dipole moments between the ν = 0 and 1 vibrational states of OH. This is within 20% of the best theoretical results. The dependence on vibrational state is very nonlinear, which is also in agreement with theoretical results. Finally, the difference between the ν = 0 dipole moments of OH and OD is close to the expected value.

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.

Charge-Transfer Dipoles at the Si-SiO2 Interface and the Metal-Semiconductor Worfunction Difference In Mos Devices.

1987 ◽  
Vol 105 ◽  
Author(s):  
Hisham Z. Massoud
Keyword(s):  
Dipole Moment ◽  
Charge Transfer ◽  
Dipole Moments ◽  
Silicon Substrates ◽  
Interface Dipole ◽  
Mos Devices ◽  
Flatband Voltage ◽  
The Difference ◽  
Definition Of ◽  
Mos Structures

AbstractThe magnitude of the dipole moment at the Si-SiO2 interface resulting from partial charge transfer that takes place upon the formation of interface bonds has been calculated. The charge transfer occurs because of the difference in electronegativity between silicon atoms and SiO2 molecules which are present across the interface. Results obtained for (100) and (111) silicon substrates indicate that the magnitude of the interface dipole moment is dependent on substrate orientation and the interface chemistry. Dipole moments at the Si-SiO2 and gate-SiO2 interfaces should be included in the definition of the flatband voltage VFB of MOS structures. CV-based measurements of the metal-semiconductor workfunction difference φms on (100) and (111) silicon oxidized in dry oxygen and metallized with Al agree with the predictions of this model. Other types of interface dipoles and their processing dependence are briefly discussed.

Experimental and computed dipole moments in donor–bridge–acceptor systems with p-phenylene and p-carboranediyl bridges

2009 ◽  
Vol 74 (1) ◽  
pp. 131-146 ◽  
Author(s):  
Ladislav Drož ◽  
Mark A. Fox ◽  
Drahomír Hnyk ◽  
Paul J. Low ◽  
J. A. Hugh MacBride ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Dipole Moments ◽  
Electronic Effects ◽  
Electronic Interactions ◽  
Donor And Acceptor ◽  
Homo And Lumo ◽  
Pull Systems ◽  
The Difference ◽  
Experimental Values ◽  
2D And 3D

Dipole moments were measured for a series of substituted benzenes, biphenyls, terphenyls, C-monoaryl- and C,C′-diaryl-p-carboranes. For the donor–bridge–acceptor systems, Me2N–X–NO2, where X is 1,4-phenylene, biphenyl-4,4′-diyl, terphenyl and 1,4-C6H4-p-CB10H10C-1,4-C6H4, the measured interaction dipole moments are 1.36, 0.74, 0.51 and 0.00 D, respectively. The magnitude of the dipole moment reflects the ability of the bridge to transmit electronic effects between donor and acceptor groups. Thus, whilst the 1,4-phenylene bridges allow moderate electronic interactions between the remote groups, the p-carboranediyl unit is less efficient as a conduit for electronic effects. Averaged dipole moments computed at the DFT (B3LYP/6-31G*) level of theory from two distinct molecular conformers are in good agreement with the experimental values. Examination of the calculated electronic structures provides insight into the nature of the interactions between the donor and acceptor moieties through these 2D and 3D aromatic bridges. The most significant cooperative effect of the bridge on the dipole moment occurs in systems where there is some overlap between the HOMO and LUMO orbitals. This orbital overlap criterion may help to define the difference between “push-pull” systems in which electronic effects are mediated by the bridging moiety, and simpler systems in which the bridge acts as an electronically innocent spacer unit and through-space charge transfer/separation is dominant.

HQC with the AC setup associated with topological defects

2011 ◽  
Vol 11 (5&6) ◽  
pp. 444-455
Author(s):  
Knut Bakke ◽  
Cláudio Furtado
Keyword(s):  
Dipole Moment ◽  
Electric Field ◽  
Magnetic Dipole ◽  
Magnetic Dipole Moment ◽  
Topological Defect ◽  
Dipole Moments ◽  
Topological Defects ◽  
Quantum Phases ◽  
Neutral Particles ◽  
New Formulation

In this work, we propose a new formulation allowing to realize the holonomic quantum computation with neutral particles with a permanent magnetic dipole moments interacting with an external electric field in the presence of a topological defect. We show that both the interaction of the electric field with the magnetic dipole moment and the presence of topological defect generate independent contributions to the geometric quantum phases which can be used to describe any arbitrary rotation on the magnetic dipole moment without using the adiabatic approximation.

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