Publication detail

Characterization of C-NO2 Bonds in Nitroaromatic Compounds: A Bond Disproportionation Approach

PEXA, M. FRIEDL, Z.

Original Title

Characterization of C-NO2 Bonds in Nitroaromatic Compounds: A Bond Disproportionation Approach

Type

journal article - other

Language

English

Original Abstract

he bond dissociation and bond disproportionation approach was tested on series of polynitroaromatic compounds. The relationships between structure and iniciation mechanisms were scrutinized by DFT B3LYP/6-311+G(d,p) calculations.

Keywords

nitrobenzenes, nitrotoluenes, bond disproportionation energy, DFT calculations

Authors

PEXA, M.; FRIEDL, Z.

RIV year

2010

Released

20. 8. 2010

Publisher

Inst.Ind.Org.Chem.

Location

Warsaw, Poland

ISBN

1733-7178

Periodical

Central European Journal of Energetic Materials

Year of study

7

Number

2

State

Republic of Poland

Pages from

33

Pages to

46

Pages count

14

BibTex

@article{BUT50100,
  author="Michal {Pexa} and Zdeněk {Friedl}",
  title="Characterization of C-NO2 Bonds in Nitroaromatic Compounds: A Bond Disproportionation Approach",
  journal="Central European Journal of Energetic Materials",
  year="2010",
  volume="7",
  number="2",
  pages="33--46",
  issn="1733-7178"
}