Vibrational structure of the N+2 ground state observed by threshold photoelectron spectroscopy

1996 ◽  
Vol 104 (23) ◽  
pp. 9357-9361 ◽  
Author(s):  
Y. Morioka ◽  
Y. Lu ◽  
T. Matsui ◽  
T. Tanaka ◽  
H. Yoshii ◽  
...  
Keyword(s):  
Ground State ◽  
Photoelectron Spectroscopy ◽  
Vibrational Structure

scholarly journals Negative ion photoelectron spectroscopy confirms the prediction that D3h carbon trioxide (CO3) has a singlet ground state

2016 ◽  
Vol 7 (2) ◽  
pp. 1142-1150 ◽  
Author(s):  
David A. Hrovat ◽  
Gao-Lei Hou ◽  
Bo Chen ◽  
Xue-Bin Wang ◽  
Weston Thatcher Borden
Keyword(s):  
Gas Phase ◽  
Ground State ◽  
Photoelectron Spectroscopy ◽  
Radical Anion ◽  
Negative Ion ◽  
Singlet Ground State

The CO3 radical anion (CO3˙−) has been formed by electrospraying carbonate dianion (CO32−) into the gas phase.

The electronic spectra of phenyl radicals

1965 ◽  
Vol 287 (1411) ◽  
pp. 457-470 ◽  
Keyword(s):  
Absorption Spectrum ◽  
Electronic Absorption Spectrum ◽  
Electronic Absorption ◽  
Ground State ◽  
Electronic Spectra ◽  
Flash Photolysis ◽  
Visible Region ◽  
Electronic Configuration ◽  
Vibrational Structure ◽  
Fundamental Frequencies

An electronic absorption spectrum, attributed to phenyl, has been observed in the visible region with origin at 18 908 cm -1 after flash photolysis of benzene and halogenobenzenes. Similar spectra of fluoro, chloro and bromo phenyl are observed after flash photolysis of disubstituted benzenes. The vibrational structure of the phenyl spectrum has been analysed in terms of two fundamental frequencies at 571 and 896 cm -1 which correspond to the e 2 g and a 1 g frequencies of the B 2 u state of benzene. The ground state of phenyl has a π 6 n electronic configuration and the observed transition is interpreted as 2 A 1 → 2 B 1 resulting from a π → n excitation.

A Density Functional Study of Structures and Vibrations of Ta3O and Ta3O−

2005 ◽  
Vol 1 (4) ◽  
pp. 164-171 ◽  
Author(s):  
Patrizia Calaminici ◽  
Roberto Flores–Moreno ◽  
Andreas M. Köster
Keyword(s):  
Ground State ◽  
Photoelectron Spectroscopy ◽  
Density Functional ◽  
Equilibrium Structure ◽  
Negative Ion ◽  
Functional Study ◽  
Experimental Prediction ◽  
Extra Electron ◽  
Ground State Structures ◽  
Good Agreement

Density functional calculations of neutral and anionic tantalum trimer monoxide are presented. The calculations were performed employing scalar quasi–relativistic effective core potentials. Different isomers of Ta3O and Ta3O- were studied in order to determinethe ground state structures. For both systems a planar C2vstructure with an edge-boundoxygen atom was found as ground state. Equilibrium structure parameters, harmonic frequencies, adiabatic electron affinity and Kohn-Sham orbital diagrams are reported. The calculated values are in good agreement with the available experimental data obtained from negative ion photoelectron spectroscopy. The correlation diagram between the neutral and anionic Ta3O shows that, in agreement with the experimental prediction, the extra electron in the anionic system occupies a nonbonding orbital.

THE ABSORPTION SPECTRUM OF CF2

1967 ◽  
Vol 45 (7) ◽  
pp. 2355-2374 ◽  
Author(s):  
C. Weldon Mathews
Keyword(s):  
Absorption Spectrum ◽  
Electronic State ◽  
Ground State ◽  
Band System ◽  
Electronic States ◽  
Vibrational Structure ◽  
Rotational Structure ◽  
Transition Moment ◽  
High Dispersion ◽  
Parallel Type

The absorption spectrum of CF2 in the 2 500 Å region has been photographed at high dispersion, and the rotational structure of a number of bands has been analyzed. The analysis of the well-resolved subbands establishes that these are perpendicular- rather than parallel-type bands, as previously assigned. Further analysis shows that the upper and lower electronic states are of 1B1 and 1A1symmetries respectively, corresponding to a transition moment that is perpendicular to the plane of the molecule. In the upper electronic state, r0(CF) = 1.32 Å and [Formula: see text], while in the ground state, r0(CF) = 1.300 Å and [Formula: see text]. An investigation of the vibrational structure of the band system has shown that the vibrational numbering in ν2′ must be increased by one unit from earlier assignments, thus placing the 000–000 band near 2 687 Å (37 220 cm−1). A search between 1 300 and 8 500 Å showed two new band systems near 1 350 and 1 500 Å which have been assigned tentatively to the CF2 molecule.

A Discussion on photoelectron spectroscopy - Franck-Condon factors and autoionization in the photoelectron spectra of diatomic molecules

1970 ◽  
Vol 268 (1184) ◽  
pp. 159-162 ◽  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Photoionization Cross Section ◽  
Resonance Wavelength ◽  
Exciting Radiation ◽  
Vibrational Structure ◽  
Photoelectron Spectra ◽  
Condon Factors ◽  
Franck Condon ◽  
Characteristic Manner ◽  
Good Agreement

Distributions of calculated Franck-Condon factors for autoionizing transitions are used to illustrate the way in which the vibrational structure of the photoelectron spectrum may be extended in a characteristic manner when the wavelength of the exciting radiation coincides with a resonance in the photoionization cross section of a diatomic gas. The calculations are found to be in good agreement with resonance wavelength photoelectron spectra from O2.

Negative ion photoelectron spectroscopy of the ground state, dipole-bound dimeric anion, (HF)2−

1997 ◽  
Vol 107 (8) ◽  
pp. 2962-2967 ◽  
Author(s):  
Jay H. Hendricks ◽  
Helen L. de Clercq ◽  
Svetlana A. Lyapustina ◽  
Kit H. Bowen
Keyword(s):  
Ground State ◽  
Photoelectron Spectroscopy ◽  
Negative Ion
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