scholarly journals The Response of Electronic And Energetic Properties of Two Types of The Sp-hybridised Carbon-Carbon Bonds To An External Uniform Electric Field

2021 ◽  
Author(s):  
Nina Sadlej-Sosnowska ◽  
Agnieszka Ocios-Bębenek ◽  
Dariusz Boczar
Keyword(s):  
Charge Transfer ◽  
Field Strength ◽  
Electric Field ◽  
External Electric Field ◽  
Functional Groups ◽  
Dipole Moments ◽  
Uniform Electric Field ◽  
Energetic Properties ◽  
Polar Groups ◽  
Carbon Carbon Bonds

Abstract The susceptibility of electronic and energetic properties of two sets of molecules to perturbation in a uniform electric field was investigated. The molecules of one set were (10)cumulenes terminated with two functional groups, R1 and R2; those of the second set were (10)polyyenes substituted with the same R1 and R2 groups. The cumulene and polyyne molecules had similar lengths of the system of conjugated bonds between the two most extreme carbon atoms. Dipole moments and polarizabilities of the molecules were used as determinants of the overall charge transfer between polar groups and their modifications due to the application of an external electric field. The field was directed along the main (longest) axis of the molecules from the negative to the positive pole. Comparison of the polarizability values revealed that they were higher in the (10)cumulenes than in the (10)polyynes. Parabolic dependence of the molecular energy as function of field strength can be interpreted in terms of the response of electron density to an electric field.

Electrostatic Forces on Particles Floating Within the Interface Between Two Immiscible Fluids

2007 ◽  
Author(s):  
Nadine Aubry ◽  
Pushpendra Singh
Keyword(s):  
Dielectric Properties ◽  
Field Strength ◽  
Electric Field ◽  
Electric Field Strength ◽  
External Electric Field ◽  
Capillary Force ◽  
Electrostatic Force ◽  
Immiscible Fluids ◽  
Electrostatic Forces ◽  
Dipole Interactions

The objective of this paper is to study the dependence of the electrostatic force that act on a particle within the interface between two immiscible fluids on the parameters such as the dielectric properties of the fluids and particles, the particle’s position within the interface, and the electric field strength. It is shown that the component of electrostatic force normal to the interface varies as a2, where a is the particle radius, and since in equilibrium it is balanced by the vertical capillary force, the interfacial deformation caused by the particle changes when an external electric field is applied. In addition, there are lateral electrostatic forces among the particles due to the dipole-dipole interactions which, when the distance between two particles is O(a), vary as a2, and remain significant for submicron sized particles.

Dipole Moments, Polarizabilities and the Fluorescence Behaviour of 4-(9-anthryl)-N,N-dimethylaniline

1979 ◽  
Vol 34 (9) ◽  
pp. 1070-1082 ◽  
Author(s):  
Wolfram Baumann ◽  
F. Petzke ◽  
K.-D. Loosen
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Decay Time ◽  
Fluorescence Spectra ◽  
Dipole Moments ◽  
Absorption And Fluorescence Spectra ◽  
Dependent Effect ◽  
Reaction Field ◽  
Solvent Dependence

Abstract It is shown that the solvent dependence of the fluorescence wavenumber and decay time as well as the solvent dependent effect of an external electric field on the absorption and fluorescence spectra of 4-(9-anthryl)-N,N-dimethylaniline can be fully understood taking into account reaction field induced polarizability effects.

scholarly journals Droplets generation conducting during laser-plasma treating of metals in electric field

2021 ◽  
Vol 2064 (1) ◽  
pp. 012097
Author(s):  
A Yu Ivanov ◽  
A L Sitkevich ◽  
S V Vasil’ev
Keyword(s):  
Laser Radiation ◽  
Field Strength ◽  
Electric Field ◽  
External Electric Field ◽  
Short Circuit ◽  
Characteristic Size ◽  
Electric Breakdown ◽  
Laser Plume ◽  
Initial Stage ◽  
The Mean

Abstract Evolution of plasma plume generation on the surface of metal irradiated by laser beam with the mean radiation flux density ~ 106 W/cm2 in the external electric field with different polarity and field strength from 0 to 106 V/m was experimentally investigated. It is shown that the mean size of metal droplets carried out from the irradiated zone of target becomes materially (in several times) smaller when of the external electric field strength amplitude grow, independently to its polarity. It is essential that the mentioned differences (at the considered parameters of laser radiation) are observed only at the initial stage of the laser plume development, because after the steam-plasma cloud reaches the electrode an electric breakdown (short-circuit) occurs, and the external field in the interelectrode gap disappears. Electric breakdown leads to the spasmodic increase of electron density and temperature of plasma and to effective absorption of laser radiation by plasma torch (shielding of the target). In consequence of shielding droplets generation happens only during electric field existence. This explains decrease by several times of the characteristic size of the target substance droplets in spite of short duration of electric field existence.

Charge-transfer surface-enhanced resonance Raman spectra of benzene-like derivative compounds under the effect of an external electric field

2019 ◽  
Vol 21 (43) ◽  
pp. 23996-24006
Author(s):  
Sahar Ashtari-Jafari ◽  
Mohammad Hassan Khodabandeh ◽  
Zahra Jamshidi
Keyword(s):  
Charge Transfer ◽  
Electric Field ◽  
External Electric Field ◽  
Raman Spectra ◽  
Resonance Raman ◽  
Surface Enhanced ◽  
Resonance Raman Spectra ◽  
Selective Enhancement

The singular charge-transfer SERS spectra of symmetric and non-symmetric benzene-like compounds and their selective enhancement under electric field are investigated.

An Xα ab initio Calculation of the Charge and Spin-Density in Cs3Mo(NCS)6 Crystals Compared With Experiment

1990 ◽  
Vol 43 (6) ◽  
pp. 1097 ◽  
Author(s):  
BN Figgis ◽  
PA Reynolds
Keyword(s):  
Charge Transfer ◽  
Electric Field ◽  
Ab Initio ◽  
External Electric Field ◽  
Ab Initio Calculation ◽  
Spin Transfer ◽  
Basis Sets ◽  
Simple Basis ◽  
Metal Ligand ◽  
Complex Ion

We have performed ab initio discrete variational Xα calculations on a Cs18[Mo(NCS)6]15+ cluster, with the external electric field appropriate for a Cs3Mo(NCS)6 crystal. The calculations show both σ and π bonding, and also the participation of diffuse molybdenum- centred orbitals . Compared with the charge density experiment these effects are qualitatively correct but are underestimated. We performed further calculations successively removing the external electric field and the 18 Cs+ neighbours . The effects on the calculated metal- ligand bonding in the complex ion are negligible. This is not in agreement with experiment, so that these calculations which invoke only electrostatic effects and orthogonality with neighbouring ions and which also use only simple basis sets are not adequate. Further calculations on the Cr(NCS)63- and W(NCS)63- ions show increasing covalence from chromium to tungsten as expected. The spin transfer to the ligand is calculated to triple, but charge transfer is almost constant.

Ammonia borane in an external electric field: structure, charge transfer, and chemical bonding

RSC Advances ◽  
2015 ◽  
Vol 5 (81) ◽  
pp. 65991-65997 ◽  
Author(s):  
Xue Zhang ◽  
Shi-Ling Sun ◽  
Hong-Liang Xu ◽  
Zhong-Min Su
Keyword(s):  
Charge Transfer ◽  
Electric Field ◽  
External Electric Field ◽  
Chemical Bonding ◽  
Ammonia Borane ◽  
Field Structure ◽  
Donor Acceptor

It is well known that ammonia borane (BH3NH3) is one of the simplest donor–acceptor complexes.

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