A PROPOSED INTERPRETATION OF THE DESTABILIZING EFFECT OF HYDROXYL-GROUPS ON NITROAROMATIC MOLECULES

被引:49
作者
POLITZER, P [1 ]
SEMINARIO, JM [1 ]
BOLDUC, PR [1 ]
机构
[1] USAF,ARNAMENT LAB,AFATL MNE,EGLIN AFB,FL 32542
关键词
D O I
10.1016/0009-2614(89)87371-3
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:463 / 469
页数:7
相关论文
共 27 条
[1]   TABLES OF BOND LENGTHS DETERMINED BY X-RAY AND NEUTRON-DIFFRACTION .1. BOND LENGTHS IN ORGANIC-COMPOUNDS [J].
ALLEN, FH ;
KENNARD, O ;
WATSON, DG ;
BRAMMER, L ;
ORPEN, AG ;
TAYLOR, R .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1987, (12) :S1-S19
[2]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947
[3]   CRYSTAL STRUCTURE OF 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE [J].
CADY, HH ;
LARSON, AC .
ACTA CRYSTALLOGRAPHICA, 1965, 18 :485-&
[4]  
Charton M., 1987, PROG PHYS ORG CHEM, V16, P287
[5]  
Charton M., 1981, J THEOR BIOL, V13, P119, DOI DOI 10.1002/9780470171929.CH3
[6]   CRYSTAL-STRUCTURE OF 1,3,5-TRINITROBENZENE BY NEUTRON-DIFFRACTION [J].
CHOI, CS ;
ABEL, JE .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1972, B 28 (JAN15) :193-&
[7]   RELATION BETWEEN SHOCK SENSITIVENESS OF SECONDARY EXPLOSIVES AND THEIR MOLECULAR ELECTRONIC-STRUCTURE .1. NITROAROMATICS AND NITRAMINES [J].
DELPUECH, A ;
CHERVILLE, J .
PROPELLANTS AND EXPLOSIVES, 1978, 3 (06) :169-175
[8]  
DUESLER EN, 1978, CRYST STRUCT COMMUN, V0007
[9]   IMPORTANCE OF ENOLATE ANIONS IN THE HIGH-PRESSURE KINETICS OF NITROALKANES AND NITROAROMATICS [J].
ENGELKE, R ;
EARL, WL ;
ROHLFING, CM .
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 1986, 18 (10) :1205-1214
[10]   MICROSCOPIC EVIDENCE THAT THE NITROMETHANE ACI ION IS A RATE CONTROLLING SPECIES IN THE DETONATION OF LIQUID NITROMETHANE [J].
ENGELKE, R ;
EARL, WL ;
ROHLFING, CM .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (01) :142-146