Effects of intramolecular amidos on C-NO2 bond in nitro compounds

Chao Yang Zhang; Yuan Jie Shu; Xiao Dong Zhao; Hai Bo Li; Jin Shan Li; Xin Feng Wang

Effects of intramolecular amidos on C-NO₂ bond in nitro compounds

Chao Yang Zhang, Yuan Jie Shu, Xiao Dong Zhao, Hai Bo Li, Jin Shan Li, Xin Feng Wang

China Academy of Engineering Physics

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

2 Scopus citations

Abstract

For the first time, this paper took population of nitryl in nitro compounds molecule as its ability to attract electrons(τ) a criterion for sensitivity of nitro compounds-the τ more strong, the compounds less sensible. Amino and nitro subsitutes were studied systematically at B3LYP/6-31G z.ast; z.ast; level and the results indicated: the para-amidos can strengthen C-NO₂ bond more than ortho-amidos, but meta-amidos can weaken it when amidos and nitros were in a conjugated system, the effects of amino on C-NO₂ bond mainly were inductive and spatial as they were not in a conjugated system, and these effect will be feeble when the two groups have been separated more than a number of carbon atoms away.

Original language	English
Pages (from-to)	32-35
Number of pages	4
Journal	Huozhayao Xuebao/Chinese Journal of Explosives and Propellants
Volume	27
Issue number	3
State	Published - 2004
Externally published	Yes

Keywords

Ability to attract electrons
Amido
C-no bond
Nitro compound
Nitryl

Cite this

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title = "Effects of intramolecular amidos on C-NO2 bond in nitro compounds",

abstract = "For the first time, this paper took population of nitryl in nitro compounds molecule as its ability to attract electrons(τ) a criterion for sensitivity of nitro compounds-the τ more strong, the compounds less sensible. Amino and nitro subsitutes were studied systematically at B3LYP/6-31G z.ast; z.ast; level and the results indicated: the para-amidos can strengthen C-NO2 bond more than ortho-amidos, but meta-amidos can weaken it when amidos and nitros were in a conjugated system, the effects of amino on C-NO2 bond mainly were inductive and spatial as they were not in a conjugated system, and these effect will be feeble when the two groups have been separated more than a number of carbon atoms away.",

keywords = "Ability to attract electrons, Amido, C-no bond, Nitro compound, Nitryl",

author = "Zhang, {Chao Yang} and Shu, {Yuan Jie} and Zhao, {Xiao Dong} and Li, {Hai Bo} and Li, {Jin Shan} and Wang, {Xin Feng}",

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}

TY - JOUR

T1 - Effects of intramolecular amidos on C-NO2 bond in nitro compounds

AU - Zhang, Chao Yang

AU - Shu, Yuan Jie

AU - Zhao, Xiao Dong

AU - Li, Hai Bo

AU - Li, Jin Shan

AU - Wang, Xin Feng

PY - 2004

Y1 - 2004

N2 - For the first time, this paper took population of nitryl in nitro compounds molecule as its ability to attract electrons(τ) a criterion for sensitivity of nitro compounds-the τ more strong, the compounds less sensible. Amino and nitro subsitutes were studied systematically at B3LYP/6-31G z.ast; z.ast; level and the results indicated: the para-amidos can strengthen C-NO2 bond more than ortho-amidos, but meta-amidos can weaken it when amidos and nitros were in a conjugated system, the effects of amino on C-NO2 bond mainly were inductive and spatial as they were not in a conjugated system, and these effect will be feeble when the two groups have been separated more than a number of carbon atoms away.

AB - For the first time, this paper took population of nitryl in nitro compounds molecule as its ability to attract electrons(τ) a criterion for sensitivity of nitro compounds-the τ more strong, the compounds less sensible. Amino and nitro subsitutes were studied systematically at B3LYP/6-31G z.ast; z.ast; level and the results indicated: the para-amidos can strengthen C-NO2 bond more than ortho-amidos, but meta-amidos can weaken it when amidos and nitros were in a conjugated system, the effects of amino on C-NO2 bond mainly were inductive and spatial as they were not in a conjugated system, and these effect will be feeble when the two groups have been separated more than a number of carbon atoms away.

KW - Ability to attract electrons

KW - Amido

KW - C-no bond

KW - Nitro compound

KW - Nitryl

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M3 - 文章

AN - SCOPUS:73849120813

SN - 1007-7812

VL - 27

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JO - Huozhayao Xuebao/Chinese Journal of Explosives and Propellants

JF - Huozhayao Xuebao/Chinese Journal of Explosives and Propellants

IS - 3

ER -

Effects of intramolecular amidos on C-NO₂ bond in nitro compounds

Abstract

Keywords

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