Published November 1987
| Version v1
Journal article
Quantum-chemical interpretation of the mass spectra of pyrrole, furan, and thiophene
- 1. Institute of Physical Organic Chemistry and Coal Chemistry, Donetsk (USSR)
Description
A simple quantum-chemical interpretation of the mass-spectrometric fragmentation of organic molecules in which the probability of the cleavage of the bonds under the influence of electron impact is related to their self-consistent π-electron orders and the possible rearrangement processes are described on the basis of the long-range bond orders is proposed. This approach was tested in the case of pyrrole, furan, and thiopene
Additional details
Publishing Information
- Journal Title
- Chem. Heterocycl. Compd. (Engl. Transl.)
- Journal Volume
- 23
- Journal Issue
- 5
- Series
- Chem. Heterocycl. Compd. (Engl. Transl.).
- Journal Page Range
- 512-517
- ISSN
- 0069-3154
- CODEN
- CHCCA
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 19101985
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S74: ATOMIC AND MOLECULAR PHYSICS;
- Resource subtype / Literary indicator
- Translation
- Descriptors DEI
- ATOMIC MODELS; CHARGE DISTRIBUTION; CHEMICAL BONDS; DISSOCIATION; ELECTRON-MOLECULE COLLISIONS; ELECTRONIC STRUCTURE; FURANS; HARTREE-FOCK METHOD; IONIZATION; ISOMERIZATION; MASS SPECTRA; MOLECULAR IONS; MOLECULES; PYRROLES; QUANTUM MECHANICS; SELF-CONSISTENT FIELD; THIOPHENE
- Descriptors DEC
- AZOLES; CHARGED PARTICLES; CHEMICAL REACTIONS; COLLISIONS; ELECTRON COLLISIONS; HETEROCYCLIC COMPOUNDS; IONS; MATHEMATICAL MODELS; MECHANICS; MOLECULE COLLISIONS; ORGANIC COMPOUNDS; ORGANIC NITROGEN COMPOUNDS; ORGANIC OXYGEN COMPOUNDS; ORGANIC SULFUR COMPOUNDS; SPECTRA
Optional Information
- Notes
- Translated from Khim. Geterotsikl. Soedin.; 23: No. 5, 620-624(May 1987).