Two important factors influencing shock sensitivity of nitro compounds: Bond dissociation energy of X-NO2 (X=C, N, O) and Mulliken charges of nitro group

Journal of Hazardous Materials

Volumn 183, Issue 1-3, 2010, Pages 908-912

  Tan, Bisheng ^a,b   Long, Xinping ^a,c   Peng, Rufang ^a   Li, Hongbo ^a   Jin, Bo ^a   Chu, Shijin ^a   Dong, Haishan ^c  

^a BEIJING INSTITUTE OF TECHNOLOGY   (China)

^b SOUTHWEST UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^c RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

Bond dissociation energy; Mulliken charges of nitro group; Nitro compounds; Partial least squares fitting; Shock sensitivity

Indexed keywords

BOND DISSOCIATION ENERGIES; NITRO COMPOUNDS; NITRO GROUP; PARTIAL LEAST SQUARES; SHOCK SENSITIVITY;

INITIATORS (EXPLOSIVES); LEAST SQUARES APPROXIMATIONS;

DISSOCIATION;

1,3 DINITROBENZENE; 2 NITRO 1,3 DIAZOLE; 2,4 DINITROPYRIDINE; 2,4 DINITROPYRIMIDINE; 2,5 DINITROPYRIMIDINE; 3 NITRO 1,2,4 TRIAZOLE; 3 NITROPYRAZOLE; 4 NITRO 1,2,3 TRIAZOLE; 4 NITRO 1,3 DIAZOLE; 4 NITROPYRAZOLE; 4,6 DINITROPYRIMIDINE; 5 NITRO 1,3 DIAZOLE; 5 NITROPYRAZOLE; CARBON; CYCLONITE; EXPLOSIVE; NITRIC OXIDE; NITRO DERIVATIVE; NITROGEN; OXYGEN; TRINITROTOLUENE; UNCLASSIFIED DRUG;

CHEMICAL ANALYSIS; CHEMICAL BONDING; EXPERIMENTAL STUDY;

ARTICLE; CHEMICAL STRUCTURE; DISSOCIATION; ELECTRIC SHOCK; ELECTRICITY; HYDROGEN BOND;

EXPLOSIONS; EXPLOSIVE AGENTS; HETEROCYCLIC COMPOUNDS; NITRO COMPOUNDS; PRESSURE; THERMODYNAMICS; TRINITROBENZENES;

EID: 77956446427     PISSN: 03043894     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2010.07.115     Document Type: Article

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