Dipole moment and polarizability of the low-lying excited states of uracil

2012 ◽  
Vol 546 ◽  
pp. 24-29 ◽  
Author(s):  
Tadeusz Pluta ◽  
Maciej Kolaski ◽  
Miroslav Medved’ ◽  
Šimon Budzák
Keyword(s):  
Dipole Moment ◽  
Excited States

scholarly journals The Microwave Spectrum of 3,4-Dihydro-1,2-Pyran

1985 ◽  
Vol 40 (9) ◽  
pp. 913-919
Author(s):  
Juan Carlos López ◽  
José L. Alonso
Keyword(s):  
Dipole Moment ◽  
Excited States ◽  
Ground State ◽  
Principal Axis ◽  
Microwave Spectrum ◽  
Average Intensity ◽  
Ring Conformation ◽  
Vibrationally Excited ◽  
Rotational Constants ◽  
Displacement Measurements

Abstract The rotational transitions of 3,4-dihydro-1,2-pyran in the ground state and six vibrationally excited states have been assigned. The rotational constants for the ground state (A = 5198.1847(24), B = 4747.8716(24) and C = 2710.9161(24) have been derived by fitting μa, μb and μc-type transitions. The dipole moment was determined from Stark displacement measurements to be 1.400(8) D with its principal axis components |μa| =1.240(2), |μb| = 0.588(10) and |μc| = 0.278(8) D. A model calculation to reproduce the ground state rotational constants indicates that the data are consistent with a twisted ring conformation. The average intensity ratio gives vibrational separations between the ground and excited states of the ring-bending and ring-twisting modes of ~ 178 and ~ 277 cm-1 respectively.

Dipole moment of a metallocene precatalyst in the ground and excited states

2008 ◽  
Vol 57 (6) ◽  
pp. 1166-1171 ◽  
Author(s):  
G. V. Loukova ◽  
A. A. Milov ◽  
V. P. Vasiliev ◽  
V. A. Smirnov
Keyword(s):  
Dipole Moment ◽  
Excited States

scholarly journals Limits on CP-violating hadronic interactions and proton EDM from paramagnetic molecules

2020 ◽  
Vol 2020 (10) ◽  
Author(s):  
V. V. Flambaum ◽  
I. B. Samsonov ◽  
H. B. Tran Tan
Keyword(s):  
Dark Matter ◽  
Dipole Moment ◽  
Excited States ◽  
Coupling Constant ◽  
Nucleon Interaction ◽  
Hadronic Interactions ◽  
Qcd Vacuum ◽  
Electron Electric Dipole Moment ◽  
Paramagnetic Molecules ◽  
Magnetic Electron

Abstract Experiments with paramagnetic ground or metastable excited states of molecules (ThO, HfF+, YbF, YbOH, BaF, PbO, etc.) provide strong constraints on the electron electric dipole moment (EDM) and the coupling constant CSP of contact semileptonic interaction. We compute new contributions to CSP arising from the nucleon EDMs due to the combined electric and magnetic electron-nucleon interaction. This allows us to improve limits from the experiments with paramagnetic molecules on the CP-violating parameters, such as the proton EDM, |dp| < 1.1 × 10−23e·cm, the QCD vacuum angle, $$ \left|\overline{\theta}\right| $$ θ ¯ < 1.4 × 10−8, as well as the quark chromo-EDMs and the π-meson-nucleon couplings. Our results may also be used to search for the axion dark matter which produces oscillating $$ \overline{\theta} $$ θ ¯ .

Aza-substitution effect on the Q-band excitations of free-base porphin, chlorin, and bacteriochlorin: SAC-CI theoretical study

2005 ◽  
Vol 09 (05) ◽  
pp. 305-315 ◽  
Author(s):  
Jun-ya Hasegawa ◽  
Takayuki Kimura ◽  
Hiroshi Nakatsuji
Keyword(s):  
Dipole Moment ◽  
Excited States ◽  
Molecular Design ◽  
Decomposition Analysis ◽  
Substitution Effect ◽  
Transition Dipole Moment ◽  
Orbital Energy ◽  
Free Base ◽  
Transition Dipole ◽  
Near Degeneracy

Electronic structure of the excited states and absorption spectra of free-base azaporphins, azachlorin, and azabacteriochlorin were systematically investigated by SAC-CI calculations. Aza-substitution at the meso position affects the orbital energy of the next-HOMO, and the transition dipole moment enlarges as the number of the substitution increases. Some of the aza-substitutions dramatically affect the direction of the transition dipole, due to reduction of the molecular symmetry, which was studied in detail by a decomposition analysis of the transition dipole moment. Tetraza-substitution in chlorin and bacteriochlorin increases the oscillator strength more than that of tetrazaporphin. The mechanism underlying these changes originates mainly from the relaxation of near-degeneracy in the main configurations. These findings would be useful for the application to the molecular design of the excited states.

Classical Analytical Description of Negative Hydrogen Ions

2021 ◽  
Author(s):  
E. Oks
Keyword(s):  
Dipole Moment ◽  
Excited States ◽  
Practical Importance ◽  
Analytical Description ◽  
Deuterium Atom ◽  
Bound State ◽  
Proton Accelerator ◽  
Hydrogen Ions ◽  
Nucleus Plus ◽  
Primary Frequency

Studies of negative hydrogen ions (hereafter, NHI), such as, H– and D–, are important from both practical and fundamental points of view. One of the reasons for practical importance has to do with heating tokamak plasmas by external beams of NHI. Another practical use is the injection of NHI in high power proton accelerator facilities – for enhancing their performance. In addition, NHI are also important for studies of opacities of the atmospheres of the Sun and of the A-type stars. We present a classical analytical description of NHI in the situation where the underlying hydrogen (or deuterium) atom constitutes a rapid subsystem while the outer electron represents a slow subsystem. We focus at the case where the inner electron is in a circular state, so that the subsystem “nucleus plus inner electron” does not have the average electric dipole moment – in distinction to previous studies where the presence of the average dipole moment was the crucial requirement. By using the separation of rapid and slow subsystems, we show analytically that there is a classical bound state in such system and studied its parameters. In particular, we calculate analytically the primary frequency of the radiation of such system. This could be used for its experimental detection. The states that we found for the above systems could be considered as classical counterparts of the double-excited states of NHI previously studied in the literature in frames of quantum mechanics. The existence of classical counterparts of the double-excited states of NHI is a counterintuitive result.

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