Journal ArticleDOI
The isomers of diazomethane
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TLDR
In this article, total electronic energies and energies of isomerization have been calculated with STO-3G and 6-31G basis sets for the energy-optimized geometries of the seven isomers of diazomethane.About:
This article is published in Journal of Molecular Structure.The article was published on 1979-01-01. It has received 44 citations till now. The article focuses on the topics: Isomerization & Diazomethane.read more
Citations
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Journal ArticleDOI
Inorganic solid-state chemistry with main group element carbodiimides
Ralf Riedel,Edwin Kroke,Axel Greiner,Andreas O. Gabriel,Lutz Ruwisch,Jeffrey P. Nicolich,Peter Kroll +6 more
TL;DR: In this article, the synthesis, characterization, and thermal stability of element carbodiimides are discussed. But the main part of this paper is focused on polymeric silicon-based carbodiIMides obtained by the reaction of chloro(organo)silanes with bis(trimethylsilyl) carbodiaminide.
Book ChapterDOI
Chemical Isomerism and Its Contemporary Theoretical Description
TL;DR: The concept of isomerism has been studied in both the conventional quantum-chemical and rigorous quantum-mechanical approaches as discussed by the authors, and the interpretation of chemical isomers has been intimately connected with the concept of molecular structure and its development.
Book ChapterDOI
Carbenes and Nitrenes in Heterocyclic Chemistry: Intramolecular Reactions
TL;DR: In this paper, a review of the literature of carbenes and nitrenes is presented, which accounts for vinylnitrenes, 2H-azirines, iminocarbenes, imidoylcarbenes (I-Carbenes), 1H-Zirines (1H-Azirin), oxoc-CARBENes, oxiren, thioxoc-CarBENES, thiirenes, selenium analogs, acyl-nithrenes and Thio Analogs, and im
Journal ArticleDOI
SINDO1 II. Application to ground states of molecules containing carbon, nitrogen and oxygen atoms
Karl Jug,D. N. Nanda +1 more
TL;DR: In this paper, the SINDO1 method was used to calculate molecular geometries, binding energies, ionization potentials and dipole moments for a large number of molecules containing C, N and O atoms.
Journal ArticleDOI
Intramolekulare 1,3‐dipolare Cycloadditionen von Diarylnitriliminen aus 2,5‐Diaryltetrazolen
TL;DR: In this paper, the intramolecular 1,3-Dipolar cycloadditions of diaryl-nitrile-imines generated from 2,5-diaryl-tetrazoles were used to yield new heterocyclic compounds.
References
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Journal ArticleDOI
Mass Spectra and Appearance Potentials of Diazirine and Diazomethane
TL;DR: In this article, appearance potentials for CH2 +, CHN2 + and CH2N2+ were determined in the mass spectra of diazirine and diazomethane.
Journal ArticleDOI
Untersuchungen an Diazomethanen, III. Mitteil.: Herstellung von Isodiazomethan und seine Umlagerung zu Diazomethan
Eugen Müller,Dieter Ludsteck +1 more
TL;DR: In this article, die UV-Spektrum des Isodiazomethans wird mitgeteilt und die Konstitution der neuen Verbindung erortert.
Journal ArticleDOI
Theoretical reaction coordinate for the methyl isocyanide isomerization
TL;DR: In this article, self-consistent field calculations have been carried out to approximately determine the minimum energy path for the cH 3 Nc ~ CH 3 CN reaction, and the predicted exothermicity was 17.,4 kcal/mole, in reasonable agreement with Benson's empirical estimate 15 kcal.
Journal ArticleDOI
A theoretical investigation of the isomers of diazomethane (CH2N2). I. Geometry, bonding, and chemical reactivity
TL;DR: In this article, a searching theoretical investigation has been carried out on the five structural isomers of diazomethane, CH2N2, and interesting use has been made of electrostatic potential maps in assessing positions of high nucleophilicity in each isomer.
Journal ArticleDOI
A comparative theoretical study of trifluoromethyl and methyl cyanides and isocyanides and the cyanide-isocyanide isomerization process
TL;DR: In this article, the isomerization energy of trifluoromethyl cyanide and isocyanide has been calculated using the STO-3G geometry-optimized calculations.
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Louis. Pierce,Sr. Victor. Dobyns +1 more