Charge transfer complexes between azidopentazole and aromatic nuclei

Ester Rozental; Moshe Goldberg; Harold Basch; Shmaryahu Hoz

doi:10.1016/j.theochem.2004.02.001

Charge transfer complexes between azidopentazole and aromatic nuclei

Ester Rozental, Moshe Goldberg, Harold Basch, Shmaryahu Hoz

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

Quantum mechanical calculations show that azidopentazole forms charge transfer complexes with benzene as well as with nitrobenzene. With the former it reacts as an electron acceptor whereas with nitrobenzene it functions as an electron donor. The stabilization energy in both cases was found to be ∼4.5kcal/mol.

Original language	English
Pages (from-to)	153-157
Number of pages	5
Journal	Journal of Molecular Structure: THEOCHEM
Volume	674
Issue number	1-3
DOIs	https://doi.org/10.1016/j.theochem.2004.02.001
State	Published - Apr 2004

Keywords

Azidopentazole
Charge transfer complex
Polynitrogen

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10.1016/j.theochem.2004.02.001

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title = "Charge transfer complexes between azidopentazole and aromatic nuclei",

abstract = "Quantum mechanical calculations show that azidopentazole forms charge transfer complexes with benzene as well as with nitrobenzene. With the former it reacts as an electron acceptor whereas with nitrobenzene it functions as an electron donor. The stabilization energy in both cases was found to be ∼4.5kcal/mol.",

keywords = "Azidopentazole, Charge transfer complex, Polynitrogen",

author = "Ester Rozental and Moshe Goldberg and Harold Basch and Shmaryahu Hoz",

year = "2004",

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doi = "10.1016/j.theochem.2004.02.001",

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T1 - Charge transfer complexes between azidopentazole and aromatic nuclei

AU - Rozental, Ester

AU - Goldberg, Moshe

AU - Basch, Harold

AU - Hoz, Shmaryahu

PY - 2004/4

Y1 - 2004/4

N2 - Quantum mechanical calculations show that azidopentazole forms charge transfer complexes with benzene as well as with nitrobenzene. With the former it reacts as an electron acceptor whereas with nitrobenzene it functions as an electron donor. The stabilization energy in both cases was found to be ∼4.5kcal/mol.

AB - Quantum mechanical calculations show that azidopentazole forms charge transfer complexes with benzene as well as with nitrobenzene. With the former it reacts as an electron acceptor whereas with nitrobenzene it functions as an electron donor. The stabilization energy in both cases was found to be ∼4.5kcal/mol.

KW - Azidopentazole

KW - Charge transfer complex

KW - Polynitrogen

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DO - 10.1016/j.theochem.2004.02.001

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AN - SCOPUS:1942436702

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JO - Journal of Molecular Structure: THEOCHEM

JF - Journal of Molecular Structure: THEOCHEM

IS - 1-3

ER -

Charge transfer complexes between azidopentazole and aromatic nuclei

Abstract

Keywords

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