Electronic spectra of the free allyl radical and some of its simple derivatives

1968 ◽  
Vol 64 ◽  
pp. 308 ◽  
Author(s):  
A. B. Callear ◽  
H. K. Lee
Keyword(s):  
Electronic Spectra ◽  
Allyl Radical

The electronic spectra of conjugated hydrocarbons

1953 ◽  
Vol 218 (1135) ◽  
pp. 486-506 ◽  
Keyword(s):  
Electronic Structure ◽  
Electronic Spectra ◽  
Final Section ◽  
Molecular Orbitals ◽  
New Method ◽  
General Treatment ◽  
Ethylene Molecule ◽  
Allyl Radical ◽  
Conjugated Hydrocarbons

A new method for dealing with problems of electronic structure, which has been successfully applied to the ethylene molecule, is adapted to the general treatment of conjugated hydrocarbons. Since the theory underlying this method may be closely related to the method of antisymmetrized molecular orbitals, a fairly exhaustive discussion of this representation is included in the paper. It is shown how the relevant energy matrices may be assessed without too much labour and, in a final section, the theory is followed numerically, though somewhat approximately, for the simplest case of conjugation which is encountered in the allyl radical.

The electronic spectra of diphenyl-sulphide and DI-2-pyridyl-sulphide. A CNDO/S treatment

1976 ◽  
Vol 73 ◽  
pp. 523-526 ◽  
Author(s):  
Vinicio Galasso ◽  
Giuseppe C. Pappalardo ◽  
Giuseppe Scarlata
Keyword(s):  
Electronic Spectra

Mass spectrometric study of allyl radical, allyl bromide and 1,5-hexadiene interactions with oxides; Cobalt suboxide Co3O4

1979 ◽  
Vol 44 (7) ◽  
pp. 2009-2014 ◽  
Author(s):  
Jana Nováková ◽  
Zdeněk Dolejšek
Keyword(s):  
Room Temperature ◽  
Allyl Bromide ◽  
Catalytic Properties ◽  
Mass Spectrometric Study ◽  
Spectrometric Study ◽  
Flow Conditions ◽  
Allyl Radical ◽  
Knudsen Flow ◽  
Thermally Activated ◽  
Radical Interaction

Products of (a) allyl radical interaction with unheated Co3O4, (b) thermally activated 1,5-hexadiene or thermally activated allyl bromide with unheated Co3O4, (c) moderately heated Co3O4 with unheated 1,5-hexadiene or allyl bromide were studied under Knudsen flow conditions. Cobalt suboxide Co3O4, a typical catalyst of deep oxidations yielded acrolein in reaction with allyl radicals as early as at the room temperature of the catalyst. A similar acrolein formation was also observed in the allyl radical interaction with other oxides exhibiting different catalytic properties. It appears that acrolein is in general the primary product of the allyl radical interaction with the oxides. The results are discussed and compared with previous data obtained with MoO3.

A contribution to evaluation of effects of medium on electronic spectra

1986 ◽  
Vol 51 (4) ◽  
pp. 746-752 ◽  
Author(s):  
Vojtěch Bekárek ◽  
Juraj Ševčík
Keyword(s):  
Gas Phase ◽  
Electronic Spectra ◽  
Cross Term

Efficiency has been compared of the Bayliss-McRae-Ooshika, Bakhshiev, and cross term methods in evaluation of the effect of medium on electronic spectra of nine indicators of polarity of medium using also the data obtained in gas phase and in perfluorinated hydrocarbons.

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