Structures and vibrations of ortho-, meta-, and para-fluoroanilines in the S0 and S1 states by ab initio calculations and resonant two-photon ionization spectroscopy

1997 ◽  
Vol 93 (17) ◽  
pp. 2981-2987 ◽  
Author(s):  
W. B. Tzeng ◽  
K. Narayanan ◽  
C. Y. Hsieh ◽  
C. C. Tung
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Two Photon ◽  
Photon Ionization

Visible and near-infrared photoabsorption spectrum of Li3O: Resonance enhanced two-photon ionization spectroscopy and ab initio calculations

2003 ◽  
Vol 119 (14) ◽  
pp. 7206-7213 ◽  
Author(s):  
Sven Neukermans ◽  
Ewald Janssens ◽  
Hiromasa Tanaka ◽  
Roger E. Silverans ◽  
Peter Lievens ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Near Infrared ◽  
Two Photon ◽  
Photoabsorption Spectrum ◽  
Photon Ionization

Resonant two-photon ionization and ab initio conformational analysis of haloethyl benzenes (PhCH2CH2X,X=Cl,F)

2007 ◽  
Vol 127 (13) ◽  
pp. 134307 ◽  
Author(s):  
Danielle E. Martin ◽  
Evan G. Robertson ◽  
Richard J. S. Morrison ◽  
Bruce Dobney
Keyword(s):  
Conformational Analysis ◽  
Ab Initio ◽  
Two Photon ◽  
Photon Ionization

STUDIES AND AB INITIO CALCULATIONS ON THE CHARACTERISTICS OF THE C STATE OF SF2

2002 ◽  
Vol 09 (01) ◽  
pp. 69-75 ◽  
Author(s):  
XIAOGUO ZHOU ◽  
SHUQIN YU ◽  
ZHENYU SHENG ◽  
XINGXIAO MA ◽  
YAJUN LIU ◽  
...  
Keyword(s):  
Potential Energy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Excited States ◽  
Excitation Spectrum ◽  
Multiphoton Ionization ◽  
Two Photon ◽  
Dc Discharge ◽  
Pulsed Dc ◽  
Pulsed Dc Discharge

SF 2 radicals were generated by a pulsed dc discharge in a gas beam of SF 2 and Ar. The (2+1) resonance-enhanced multiphoton ionization (REMPI) excitation spectrum of SF 2 radical was obtained between 330 and 365 nm. The SF + cation signals were also observed in the same wavelength range. Ab initio calculations show that the C state is a predissociative state with Rydberg characteristics. The REMPI spectrum is assigned to a two-photon resonant excitation of the SF 2 radical (the B 1 B 1 and C 1 A 1 states). Potential energy curves of excited states of the SF 2 radical obtained by ab initio calculations suggest that SF + cations originate from the ionization of SF fragments yielded from the dissociation of the C state.

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