Surface Ionization Energies of Organic Compounds: Phthalocyanines

1962 ◽  
Vol 36 (10) ◽  
pp. 2810-2811 ◽  
Author(s):  
Martin Pope
Keyword(s):  
Organic Compounds ◽  
Surface Ionization ◽  
Ionization Energies

scholarly journals Термодесорбционный спектрометр труднолетучих активных органических соединений

2020 ◽  
Vol 46 (24) ◽  
pp. 23
Author(s):  
С.С. Исхакова ◽  
У. Хасанов ◽  
У.Х. Расулев ◽  
Д.Т. Усманов
Keyword(s):  
Organic Compounds ◽  
Thermal Desorption ◽  
Psychotropic Drugs ◽  
Environmental Pollutants ◽  
Surface Ionization ◽  
Electronic Database ◽  
Calibration Curves ◽  
New Type ◽  
Reference Samples ◽  
Analytical Device

The paper presents the results of the development of a new type of gas analytical device for the detection of hard-volatile active organic compounds - drugs, psychotropic drugs and their metabolites, environmental pollutants. It is based on the principle of thermal desorption in combination with surface ionization of the analyte molecules under study. In studies on the detection of trace amounts (from 0.1 ng) in sample extracts, the identification of the analyte is carried out by comparing the thermal desorption spectra and determining their number of the calibration curves of the reference samples available in the electronic database of the spectrometer.

Parameters of surface ionization of organic compounds

2016 ◽  
Vol 1 (5) ◽  
pp. 1-1
Author(s):  
Vladimir Kapustin ◽  
A. Korgaviy
Keyword(s):  
Organic Compounds ◽  
Surface Ionization

A relationship between experimentally determined pKas and molecular surface ionization energies for some azines and azoles

1991 ◽  
Vol 56 (8) ◽  
pp. 2934-2936 ◽  
Author(s):  
Tore Brinck ◽  
Jane S. Murray ◽  
Peter Politzer ◽  
Robert E. Carter
Keyword(s):  
Molecular Surface ◽  
Surface Ionization ◽  
Ionization Energies

Ionization of Unpolar Molecules by Alkali Ion Attachment on the Surface of Electrolytic Solutions Exposed to High Electric Fields

1978 ◽  
Vol 33 (6) ◽  
pp. 736-737 ◽  
Author(s):  
F. W. Röllgen ◽  
K. H. Ott
Keyword(s):  
Vapor Pressure ◽  
Organic Compounds ◽  
Electric Fields ◽  
Surface Ionization ◽  
Ion Attachment ◽  
High Electric Fields ◽  
Alkali Ion

Abstract It is shown that mixtures of salts with low vapor pressure organic compounds deposited on field anodes can be used for surface ionization of paraffins by Li+ and Na+ ion attachment. The highest ionization efficiencies were obtained with emulsifying agents such as Tweens® mixed with Lil.

Transmission of Electronic Effects in Substituted Pyridine-N-Oxides Studied by ESCA

1976 ◽  
Vol 31 (7) ◽  
pp. 856-857 ◽  
Author(s):  
G. Distefano ◽  
G. Spunta ◽  
F. P. Colonna ◽  
S. Pignataro
Keyword(s):  
Organic Compounds ◽  
Aromatic Ring ◽  
Solid Phase ◽  
Substituent Effects ◽  
Electronic Effects ◽  
Ionization Energies ◽  
The Subject ◽  
Aromatic Systems ◽  
Reported Data ◽  
Steric Inhibition Of Resonance

Abstract Since the first electron spectroscopic (ESCA) studies dealing with substituents effects upon core ionization energies (I.E.) of organic compounds1, little has been published on the subject. This was probably because the reported data did not always seem very meaningful. The absolute I.E. values obtainable in the solid phase are not very certain and also, the "shake-up" phenomena and the consequent broadening of the bands, which affect the I.E. values2, were not always taken into account. None the less we think that ESCA is a valuable tool for the study of substituent effects, and in particular of the transmission of electronic effects in aromatic systems. Previous work in this area has been published 2,3 , and more specifically an example of steric inhibition of resonance observed by means of ESCA I.E.'s and shake up data was recently reported4. Here we would like to report a further case in which the transmission of electronic effects through an aromatic ring is observed using ESCA.

Calculated electrostatic potentials and local surface ionization energies of para-substituted anilines as measures of substituent effects

1992 ◽  
Vol 70 (8) ◽  
pp. 2209-2214 ◽  
Author(s):  
Markus Haeberlein ◽  
Jane S. Murray ◽  
Tore Brinck ◽  
Peter Politzer
Keyword(s):  
Substituent Effects ◽  
Correlation Coefficients ◽  
Electrostatic Potentials ◽  
Surface Ionization ◽  
Local Surface ◽  
Substituted Anilines ◽  
Amine Nitrogen ◽  
Ionization Energies ◽  
Linear Relationships ◽  
Self Consistent Field

Using an abinitio self-consistent-field molecular orbital approach, we computed 3-21G//STO-3G* and STO-5G//STO-3G* electrostatic potentials and average local ionization energies for 17 para-substituted anilines. Our results demonstrate that the most negative potentials (Vmin) and the local surface ionization energy minima (ĪS,min) associated with the amine nitrogen lone pairs are highly sensitive indicators of the electron-donating and electron-attracting tendencies of the para substituents. We find excellent linear relationships between the 3-21G//STO-3G* amine nitrogen Vmin and ĪS,min and the σp0 Hammett constants of the substituent X; the correlation coefficients are 0.99. Correlations of slightly lesser quality are shown to exist between Vmin, ĪS,min, and σp−, σp, and pKa. Estimates of previously unknown σp0 and pKa values are given. The presence of ring carbon ĪS,minmeta to the substituent X also provides a predictive capability for determining σm values.

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