Electronic Spectra of YOH and YOD in the Visible Region: Strong Vibronic Coupling between the B1Π and C1Σ+ States

1999 ◽  
Vol 196 (1) ◽  
pp. 45-69 ◽  
Author(s):  
A.G. Adam ◽  
K. Athanassenas ◽  
D.A. Gillett ◽  
C.T. Kingston ◽  
A.J. Merer ◽  
...  
Keyword(s):  
Electronic Spectra ◽  
Visible Region ◽  
Vibronic Coupling

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.

ChemInform Abstract: ELECTRONIC SPECTRA AND VIBRONIC COUPLING OF PYRAZINE

1974 ◽  
Vol 5 (41) ◽  
Author(s):  
ISAMU SUZUKA ◽  
NAOHIKO MIKAMI ◽  
MITSUO ITO
Keyword(s):  
Electronic Spectra ◽  
Vibronic Coupling

A theoretical study of the electronic structure and spectra of metalloporphine cations

1985 ◽  
Vol 63 (7) ◽  
pp. 1763-1772 ◽  
Author(s):  
W. Daniel Edwards ◽  
Michael C. Zerner
Keyword(s):  
Electronic Structure ◽  
Electronic Spectra ◽  
Theoretical Study ◽  
Visible Region ◽  
Ionization Energies ◽  
Neutral Compounds ◽  
Experimental Findings ◽  
Spin Densities ◽  
Soret Region

A theoretical study is made of the electronic spectra of Mg(II), Zn(II), and Co(III) porphine and their π cations using the INDO/S-CI spectroscopic model. The calculated electronic spectra for the neutral compounds compare well with experiment. The two low-lying π cations, one of 2A1u and one of 2A2u symmetry are both examined for each of these systems. The 2A1u cations are calculated to lie lower in energy than the 2A2u cations by only 4 kcal/mol, consistent with the findings that both ions are found depending on substituents and solvent.The visible region of the spectrum of the 2A1u species is predicted to consist of three separate bands decreasing in intensity with increasing energy, while that of the 2A2u species is calculated to consist of three allowed transitions of near equal intensity, in agreement with experimental findings. In general the Soret region of the 2A1u ions is dominated by one transition, while at least three strong bands are calculated in the Soret region for the 2A2u ions, again in reasonable accord with experiment. Charges, ionization energies, and spin densities are reported and discussed for all compounds.

scholarly journals Substituted ferrocenes: Synthesis and correlation of their electronic spectra with structure (LFER)

2002 ◽  
Vol 67 (8-9) ◽  
pp. 593-603 ◽  
Author(s):  
E.A. Kassab ◽  
M.I. Marzouk ◽  
M. El-Hashash
Keyword(s):  
Electronic Spectra ◽  
Visible Region ◽  
Hammett Constants ◽  
Wave Numbers

Three series of diacylferrocences (I) and ferrocenylidene acetophenones (II) and monoalkyl ferrocences (III) were synthesized and their electronic spectra in the visible region were studied. The bands exhibited by compounds (II) show a good correlation between their wave numbers and the Hammett ? constants.

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