Interaction of the simple carbene c-C3H2with H2: potential energy surface and low-energy scattering

2019 ◽  
Vol 21 (19) ◽  
pp. 9996-10002 ◽  
Author(s):  
M. Ben Khalifa ◽  
L. Wiesenfeld ◽  
K. Hammami
Keyword(s):  
Dipole Moment ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Energy Surface ◽  
Low Energy ◽  
Energy Scattering ◽  
Permanent Electric Dipole Moment

Cyclopropenylidene, c-C3H2, is a simple hydrocarbon, ubiquitous in astrophysical gases, and possessing a permanent electric dipole moment.

Theoretical study of the potential energy surface and electric dipole moment of aniline

2016 ◽  
Vol 1108 ◽  
pp. 341-346 ◽  
Author(s):  
Mahshid Farasat ◽  
S.H. Reza Shojaei ◽  
M.Maqsood Golzan ◽  
Khalil Farhadi
Keyword(s):  
Dipole Moment ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Energy Surface ◽  
Theoretical Study

The permanent electric dipole moment of CaOH

1990 ◽  
Vol 93 (6) ◽  
pp. 4179-4186 ◽  
Author(s):  
Charles W. Bauschlicher ◽  
Stephen R. Langhoff ◽  
Timothy C. Steimle ◽  
Jeffrey E. Shirley
Keyword(s):  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Permanent Electric Dipole Moment

Interference effects in the spectrum of HD: I. The fundamental band of pure HD

1983 ◽  
Vol 61 (12) ◽  
pp. 1648-1654 ◽  
Author(s):  
N. H. Rich ◽  
A. R. W. McKellar
Keyword(s):  
Absorption Spectrum ◽  
Dipole Moment ◽  
Phase Shift ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
High Density ◽  
Line Profiles ◽  
Interference Effects ◽  
Permanent Electric Dipole Moment ◽  
Precise Interpretation

The absorption spectrum of the ν = 1 ← 0 band of HD has been investigated at a temperature of 77 K and for densities in the range of 15 to 140 amagat. The band consists of two components: a broad collision-induced quasi continuum arising from dipoles induced during molecular collisions; and a dipole-allowed part arising from the small permanent electric dipole moment of the free HD molecule. The interference effects which occur between these two components were studied for the dipole-allowed R1(0) and R1(1) transitions. These transitions exhibited increasingly large asymmetries and changes in intensity at high density, but their behaviours were quite different from each other. The shape of each transition could be well represented by a series of Fano line profiles, and the evolution of shape and intensity with density could be accounted for by the formulation of Herman, Tipping, and Poll. However, the precise interpretation of the phase shift parameters arising in the theory is not clear.

Investigation of rotational state-changing collisions of C2N− ions with helium

2019 ◽  
Vol 15 (S350) ◽  
pp. 443-444
Author(s):  
Jan Franz ◽  
Francesco Antonio Gianturco
Keyword(s):  
Dipole Moment ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Cross Sections ◽  
Energy Surface ◽  
Inelastic Collisions ◽  
Atomic Gases ◽  
Molecular Anion ◽  
Helium Atoms ◽  
Molecular Anions

AbstractThe cross sections for rotational inelastic collisions between atoms and a molecular anion can be very large, if the anion has a dipole moment. This makes molecular anions very efficient in cooling atomic gases. We address rotational inelastic collisions of Helium atoms with the molecular anion C2N–. Here we present preliminary calculations of the potential energy surface.

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