scholarly journals Linear correlation of vertical ionization energies and partial charges on acetaldehyde and methyl formate radicals in various solvents

2020 ◽  
Vol 746 ◽  
pp. 137311
Author(s):  
Constantinos D. Zeinalipour-Yazdi ◽  
Kevin Lam
Keyword(s):  
Linear Correlation ◽  
Methyl Formate ◽  
Ionization Energies ◽  
Partial Charges ◽  
Vertical Ionization Energies

A Simple Correlation of Anodic Peak Potentials of Silylarenes and Their Vertical Ionization Energies

2004 ◽  
Vol 23 (7) ◽  
pp. 1636-1638 ◽  
Author(s):  
Anand Dhiman ◽  
James Y. Becker ◽  
Oliver Minge ◽  
Hubert Schmidbaur ◽  
Thomas Müller
Keyword(s):  
Anodic Peak ◽  
Simple Correlation ◽  
Ionization Energies ◽  
Vertical Ionization Energies

Photoelectron Spectroscopy of Heterocycles. Fluorene Analogues

1978 ◽  
Vol 33 (9) ◽  
pp. 1006-1012 ◽  
Author(s):  
B. Ruščić ◽  
B. Kovač ◽  
L. Klasinc ◽  
H. Güsten
Keyword(s):  
Linear Correlation ◽  
Photoelectron Spectroscopy ◽  
Energy Levels ◽  
Photoelectron Spectra ◽  
Orbital Interaction ◽  
Ionization Energies

The He(I) photoelectron spectra of fluorene and its analogues, biphenyl, dibenzofuran, carbazole, dibenzothiophene, and phenanthrene were measured and analyzed. The assignment of the π-electron ionizations using orbital interaction and symmetry arguments for the constituent parts of the molecules indicates that the energy levels of the fluorene analogues can be reproduced within a few percent of error. A close linear correlation between the π-ionization energies and the eigenvalues of the corresponding HMO-orbitals is obtained as well.

Assignment of photoelectron spectra of silatranes: first ionization energies and the nature of the dative Si←N contact

2015 ◽  
Vol 17 (39) ◽  
pp. 26225-26237 ◽  
Author(s):  
Valery F. Sidorkin ◽  
Elena F. Belogolova ◽  
Evgeniya P. Doronina
Keyword(s):  
Photoelectron Spectra ◽  
Ionization Energies ◽  
Vertical Ionization Energies

The problematic experimental (8–12 eV) photoelectron spectra of silatranes were theoretically studied and the correlation was found between the first vertical ionization energies, VIEs1, and the various characteristics of the coordination Si←N contact.

Vertical Ionization Energies of Adenine and 9-Methyl Adenine†

2009 ◽  
Vol 113 (52) ◽  
pp. 14630-14635 ◽  
Author(s):  
O. Dolgounitcheva ◽  
V. G. Zakrzewski ◽  
J. V. Ortiz
Keyword(s):  
Ionization Energies ◽  
Vertical Ionization Energies

DNA Lesion Can Facilitate Base Ionization: Vertical Ionization Energies of Aqueous 8-Oxoguanine and its Nucleoside and Nucleotide

2014 ◽  
Vol 118 (48) ◽  
pp. 13833-13837 ◽  
Author(s):  
Vladimír Palivec ◽  
Eva Pluhařová ◽  
Isaak Unger ◽  
Bernd Winter ◽  
Pavel Jungwirth
Keyword(s):  
Ionization Energies ◽  
Dna Lesion ◽  
Vertical Ionization Energies
Sign in / Sign up

Export Citation Format

Share Document