Valence-bond and Huckel molecular orbital diradicals - Alternant versus nonalternant effects

被引:10
作者
Dias, JR [1 ]
机构
[1] Univ Missouri, Dept Chem, Kansas City, MO 64110 USA
关键词
D O I
10.1071/CH02221
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Two distinct classes of diradicals are examined and compared. Valence-bond diradicals are topologically enforced, whereas Huckel molecular orbital diradicals can undergo skeletal distortions and transform to a nonradical form and tend to gain or lose electrons to form stable polyions. Alternant hydrocarbon diradicals are nonpolar species and nonalternant hydrocarbon diradicals tend to be polar species and less prevalent.
引用
收藏
页码:1225 / 1232
页数:8
相关论文
共 65 条
[41]  
HERNDON WC, 1974, TETRAHEDRON LETT, P1399
[42]   TRINDENE TRIANION [J].
KATZ, TJ ;
SLUSAREK, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :1058-1063
[43]   TOWARDS TRIBENZOACEPENTALENE - TRIBENZOTRIQUINACENE, DIHYDROTRIBENZOACEPENTALENEDIIDE, AND THE TRIBENZOACEPENTALENE RADICAL-ANION [J].
KUCK, D ;
SCHUSTER, A ;
OHLHORST, B ;
SINNWELL, V ;
DEMEIJERE, A .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1989, 28 (05) :595-597
[44]   ON THE POSSIBILITIES OF PI-YLIDES [J].
LANGLER, RF ;
PRECEDO, L .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1990, 68 (06) :939-941
[45]   MULTIPLICITIES OF PI-YLIDE GROUND-STATES - COMPUTATIONAL EVIDENCE FOR A BREAKDOWN OF AROMATICITY ARGUMENTS [J].
LANGLER, RF ;
GINSBURG, JL ;
SNOOKS, R ;
BOYD, RJ .
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 1991, 4 (09) :566-572
[46]   The atom and the molecule [J].
Lewis, GN .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1916, 38 :762-785
[47]  
LI Q, 1989, GAODENG XUEXIAO HUAX, V10, P387
[48]   THE VIBRATIONAL SPECTRA AND GEOMETRICAL CONFIGURATION OF 1,3,5,7-OCTATETRAENE [J].
LIPPINCOTT, ER ;
FEAIRHELLER, WR ;
WHITE, CE .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1959, 81 (06) :1316-1321
[49]   Singlet and triplet states are degenerate in 2,3-dimethylenecyclohexane-1,4-diyl [J].
Matsuda, K ;
Iwamura, H .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997, 119 (31) :7412-7413
[50]   Demonstration of the degeneracy of the singlet and triplet states in 2,3-dimethylenecyclohexane-1,4-diyl by measurement of its magnetic properties [J].
Matsuda, K ;
Iwamura, H .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1998, (05) :1023-1026