scholarly journals Oxidation of Guanine in G, GG, and GGG Sequence Contexts by Aromatic Pyrenyl Radical Cations and Carbonate Radical Anions:  Relationship between Kinetics and Distribution of Alkali-Labile Lesions

2008 ◽  
Vol 112 (6) ◽  
pp. 1834-1844 ◽  
Author(s):  
Young Ae Lee ◽  
Alexander Durandin ◽  
Peter C. Dedon ◽  
Nicholas E. Geacintov ◽  
Vladimir Shafirovich
Keyword(s):  
Radical Cations ◽  
Radical Anions ◽  
Carbonate Radical

ChemInform Abstract: Radical Cations and the Radical Anions of Some Weitz-Type S-Donors

ChemInform ◽  
1988 ◽  
Vol 19 (11) ◽  
Author(s):  
F. GERSON ◽  
G. GESCHEIDT ◽  
J. KNOEBEL ◽  
I. MURATA ◽  
K. NAKASUJI
Keyword(s):  
Radical Cations ◽  
Radical Anions

The Radical Cations and the Radical Anions of SomeWeitz-Type S-Donors

1987 ◽  
Vol 70 (8) ◽  
pp. 2065-2072 ◽  
Author(s):  
Fabian Gerson ◽  
Georg Gescheidt ◽  
Jürgen Knöbel ◽  
Ichiro Murata ◽  
Kazuhiro Nakasuji
Keyword(s):  
Radical Cations ◽  
Radical Anions

Regio- and stereoselective functionalization of electron-deficient alkenes by organosilicon compounds via photoinduced electron transfer

2003 ◽  
Vol 75 (8) ◽  
pp. 1049-1054 ◽  
Author(s):  
K. Mizuno ◽  
T. Hayamizu ◽  
Hajime Maeda
Keyword(s):  
Electron Transfer ◽  
Photoinduced Electron Transfer ◽  
Radical Cations ◽  
Reactive Intermediates ◽  
Radical Anions ◽  
Organosilicon Compounds ◽  
Allylic Silanes ◽  
Carbon Radicals

Regio- and stereoselective photoallylation of electron-deficient alkenes by use of allylic silanes via photoinduced electron transfer has been described. Similar photoinduced  functionalization reactions such as arylmethylation, alkylation, and silylation can be achieved by using a variety of organosilicon compounds. These photoreactions proceed via radical cations of organosilicon compounds and radical anions of electron-deficient alkenes as reactive intermediates. The key step of the photoreactions is the attack of carbon radicals, which are generated from the radical cations of organosilicon compounds, on the radical anions of alkenes. The mechanism of the regio- and stereoselective photofunctionalization is discussed.

ROTATIONAL SPECTRA OF A SERIES OF POLYCYCLIC AROMATIC HYDROCARBONS

2021 ◽  
Vol 0 (1) ◽  
pp. 56-65
Author(s):  
M.G. FAYZULLIN ◽  
◽  
E.YU. PANKRATYEV ◽  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Dipole Moment ◽  
Aromatic Hydrocarbons ◽  
Radical Cations ◽  
Microwave Spectrum ◽  
Neutral Molecule ◽  
Radical Anions ◽  
Radical Ions ◽  
Rotational Spectra ◽  
Polycyclic Aromatic

A theoretical study of the rotational spectra of a number of polycyclic aromatic hydrocarbons (PAHs) was carried out on the basis of quantum-chemical calculations by PRIRODA program in the PBE/3ζ approximation. Calculations are given for neutral molecules, their radical anions and radical cations in the rigid top approximation. Twelve neutral PAHs under study have no dipole moment and are not of interest for rotational spectroscopy. Thirteen neutral PAHs have a dipole moment not exceeding 0.09 Debye and, under certain conditions, can be studied in the microwave region. The remaining six compounds are PAHs with methyl and phenyl substituents, their dipole moments are 0.32-0.65 Debye, which makes it possible to study their microwave spectrum. For radical ions, the situation with the dipole moment is as follows: if a neutral molecule does not have a dipole moment, then the corresponding radical ion does not have it either; if the dipole moment of a neutral molecule is nonzero, then for radical ions it increases at least several times. For example, in the benzo [b] chrysene radical anion, the μa-component component of the dipole moment increases by 250 times, the μb-component by 7 times, and the total dipole moment by about 100 times. This effect is more pronounced for radical anions than for radical cations. In this case, it becomes possible to detect the spectrum of if not a neutral molecule, then at least one of its charge states. For a number of compounds, the patterns of various spectroscopic parameters depending on the number of carbon atoms in PAHs were found. In the B3LYP/6-31G(d,p) approximation, quartic centrifugal distortion constants were calculated for five compounds, and their effect on the rotational spectrum was estimated: for many compounds under study, they can have a significant effect on the microwave spectrum. With an increase in PAHs, the centrifugal constants decrease indicating an increase in the rigidity of the molecules. Thus, substituted neutral PAHs, as well as a number of radical ions, may be of interest for experimental studies in laboratory conditions and in space.

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