Formation of the Radical Cations of Some Tetracyclic Aromatic Hydrocarbons in Boric Acid Glass

1974 ◽  
Vol 52 (5) ◽  
pp. 827-828 ◽  
Author(s):  
Z. H. Khan ◽  
B. N. Khanna
Keyword(s):  
Boric Acid ◽  
Aromatic Hydrocarbons ◽  
Electronic Spectra ◽  
Radical Cations ◽  
Close Resemblance

The radical cations of tetracene, chrysene, 1,2-benzanthracene, and 3,4-benzphenanthrene have been produced in boric acid glass by u.v. irradiation. Their electronic spectra are recorded in the region 200–1400 nm and show a close resemblance to the available data for the cations reported earlier.

On the Correlation between Electronic Spectra of Alternant Aromatic Hydrocarbons and Their Radical Cations

1993 ◽  
Vol 47 (12) ◽  
pp. 2140-2144 ◽  
Author(s):  
Zahid H. Khan ◽  
Mudassir M. Husain ◽  
Edwin Haselbach
Keyword(s):  
Radical Cation ◽  
Aromatic Hydrocarbons ◽  
Electronic Spectra ◽  
Spectroscopic Data ◽  
Singlet State ◽  
Radical Cations ◽  
Doublet State ◽  
Excited Singlet ◽  
Simple Correlation ◽  
State Correlation

On the basis of the spectroscopic data for some 40 alternant aromatic hydrocarbons, a simple correlation is given between the excited singlet state ( p band) of such molecules and the excited lowest-energy non-Koopmans state ( A band) for their radical cations. It is shown that, with the use of this relation, the energy of the doublet state for a radical cation can be reasonably estimated if the energy of the p band for its neutral precursor is known. We have also computed the doublet state energies of the aromatic hydrocarbons using the “SDT” relations, which involve three spectroscopic quantities, viz., the excited singlet ( S) and triplet ( T) states of a neutral molecule and the doublet ( D) state of its radical cation. The predictions of the proposed singlet-doublet state correlation are found to be far superior than those of the SDT relations.

Radical cation formation during the adsorption of polycyclic aromatic hydrocarbons on platinum oxide

1973 ◽  
Vol 26 (1) ◽  
pp. 221 ◽  
Author(s):  
JL Garnett ◽  
KJ Nicol ◽  
A Rainis
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Radical Cation ◽  
Aromatic Hydrocarbons ◽  
Hyperfine Splitting ◽  
Radical Cations ◽  
Platinum Oxide ◽  
Adsorbed Species ◽  
Experimental Conditions ◽  
Polycyclic Aromatic

Experimental conditions are reported for resolving the hyperfine splitting of e.p.r. spectra obtained from the interaction of polycyclic aromatic hydrocarbons with platinum oxide. By contrast with earlier interpretations where only a singlet was obtained even with perylene, the present results indicate that the adsorbed species are radical cations.

Substituent effects on the electronic spectra of aromatic hydrocarbons I. A comparison of the localized-orbital and iso-conjugate-hydrocarbon models for interpreting the spectra of amino- and nitrobenzenes

1964 ◽  
Vol 278 (1372) ◽  
pp. 57-63 ◽  
Keyword(s):  
Aromatic Hydrocarbons ◽  
Configuration Interaction ◽  
Electronic Spectra ◽  
Substituent Effects ◽  
Phenyl Group ◽  
Zero Order ◽  
Wave Functions ◽  
Localized Orbital

Two models are used to analyze the spectra of aniline and nitrobenzene. These are the localized-orbital model, in which there is no delocalization of the electrons between the phenyl group and the substituent, and the iso-conjugate-hydrocarbon model, in which there is complete delocalization. Neither model is very satisfactory with zero-order wave functions and energies. Both give a satisfactory interpretation of the spectra if configuration interaction is taken into account but the localized-orbital model is rather better for calculating energies. The localized-orbital model is also more readily applied to polysubstituted benzenes.

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