Enthalpy of formation of 6-phenyl-1,5-diazabicyclo[3.1.0]hexane by combustion calorimetry and theoretical approach for efficient prediction of thermochemistry of diaziridines-Reference-Cited by-同舟云学术

Enthalpy of formation of 6-phenyl-1,5-diazabicyclo[3.1.0]hexane by combustion calorimetry and theoretical approach for efficient prediction of thermochemistry of diaziridines

Published:2023 Issue:37 Volume:25 Page:25289-25298
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Lukyanova Vera A.¹,Kuznetsov Vladimir V.²^ORCID,Konstantinova Natalia M.¹,Dmitrenok Andrey S.²,Kosaya Maria P.¹,Dorofeeva Olga V.¹^ORCID,Druzhinina Anna I.¹^ORCID

Affiliation:

1. Department of Chemistry, M. V. Lomonosov Moscow State University, 119991 Moscow, Russia

2. N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russia

Abstract

High-level ab initio calculations of gas phase enthalpies of formation combined with enthalpies of sublimations estimated using descriptors of electrostatic potential allow predicting the enthalpies of formation of diaziridines in the solid phase.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP03290F

Reference82 articles.

1. Transformations of diaziridines and their fused analogues induced by electrophilic reagents

2. Comparative characterization of thermal isomerization rates of 6-phenyl-1,5-diazabicyclo[3.1.0]hexane at convection and microwave heating

3. Spatial Structure and Nontrivial Stereodynamics of Tricyclic Perhydro-1,2,4,5-Tetrazines

4. Progress in the chemistry of nitrogen-, oxygen- and sulfur-containing heterocyclic systems

5. Selective and reversible 1,3-dipolar cycloaddition of 6-aryl-1,5-diazabicyclo[3.1.0]hexanes with 1,3-diphenylprop-2-en-1-ones under microwave irradiation

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