The electronic spectrum of the C2P free radical and a Renner–Teller analysis of the Δ2 and X̃Π2 electronic states

2008 ◽  
Vol 128 (24) ◽  
pp. 244311 ◽  
Author(s):  
Fumie X. Sunahori ◽  
Jie Wei ◽  
Dennis J. Clouthier
Keyword(s):  
Free Radical ◽  
Electronic Spectrum ◽  
Electronic States

Phosphorus hyperfine structure in the electronic spectrum of the HPCl free radical

2004 ◽  
Vol 121 (3) ◽  
pp. 1405-1411 ◽  
Author(s):  
Brandon S. Tackett ◽  
Dennis J. Clouthier ◽  
Allan G. Adam ◽  
Scott A. Shepard
Keyword(s):  
Free Radical ◽  
Hyperfine Structure ◽  
Electronic Spectrum

Electronic spectrum of H2O+

1976 ◽  
Vol 54 (20) ◽  
pp. 2028-2049 ◽  
Author(s):  
H. Lew
Keyword(s):  
Emission Spectrum ◽  
Electronic Spectrum ◽  
Ground State ◽  
Energy Levels ◽  
Bond Distance ◽  
Electronic States ◽  
Wavelength Region ◽  
Astrophysical Interest ◽  
Vibrational Levels ◽  
Wave Numbers

Many bands of the [Formula: see text] electronic emission spectrum of H2O+, occurring in the wavelength region 4000–7500 Å, have been analyzed. These include bands that have been observed in the tails of comets. The wavelengths and wave numbers of all assigned lines are tabulated. Accurate rotational constants for the first three bending vibrational levels of the ground state are given, as well as energy levels in the upper and lower electronic states. The O—H bond distance and the H—O—H angle in the [Formula: see text] (0, 0, 0) level are found to be 0.9988 Å and 110.46° respectively. Some predicted microwave and infrared lines that may be of astrophysical interest are included.

Influence of Chemical Disorder, Magnetic Field and Phason Flipd on the Localization of Electronic States in a Regular Icosahedral Quasicrystal

2000 ◽  
Vol 643 ◽  
Author(s):  
Yu.Kh. Vekilov ◽  
E.I. Isaev ◽  
S.F. Arslanov
Keyword(s):  
Magnetic Field ◽  
Electronic Spectrum ◽  
Long Range ◽  
Electronic States ◽  
Wave Functions ◽  
Icosahedral Quasicrystal ◽  
Long Range Order ◽  
Level Statistic ◽  
Chemical Disorder ◽  
Icosahedral Quasicrystals

AbstractThe influence of substitutional chemical disorder, magenetic field and phasons, on the electronic spectrum and wave functions of icosahedral quasicrystals is investigated by means of tight-biding approximation and level statistic method. The results show that the localization of electronic states in an ideal quasictystal exists due to their coherent interfernce at the Fremi level which is caused by the symmetry and aperiodic long-range order.

An abinitio study of the A2A′—X2A″ vibronic transition in the free radical HNF

1983 ◽  
Vol 61 (11) ◽  
pp. 2500-2505 ◽  
Author(s):  
Miljenko Perić ◽  
Sigrid D. Peyerimhoff ◽  
Robert J. Buenker
Keyword(s):  
Free Radical ◽  
Potential Energy ◽  
Small Molecules ◽  
Large Angle ◽  
Vibrational Analysis ◽  
Electronic States ◽  
Measured Data ◽  
Vibronic Transition ◽  
Bending Modes ◽  
Linear Geometry

Potential energy curves for the two lowest electronic states X2A″ and A2A′(2Π in linear geometry) of HNF are calculated employing configuration interaction. A vibrational analysis of the A2A′—X2A″ transition is undertaken; stretching and bending modes are treated separately but vibronic coupling and large-angle bending is taken into consideration explicitly. The various vibronic levels including their K-type structure are compared with measured data wherever available and the results indicate that the prediction of vibronic spectra in small molecules on the basis of purely abinitio data is now within reach.

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