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 50 条
  • [21] Heteroisotopic molecular behavior. The Valence-Bond theory of the positronium hydride
    Rolim, F
    Moreira, T
    Mohallem, JR
    BRAZILIAN JOURNAL OF PHYSICS, 2004, 34 (3B) : 1197 - 1203
  • [22] THE VALENCE-BOND THEORY OF MOLECULAR STRUCTURE .3. CYCLOBUTADIENE AND BENZENE
    MCWEENY, R
    PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1955, 227 (1170): : 288 - 312
  • [23] Valence-bond states in dynamical Jahn-Teller molecular systems
    Santoro, G
    Guidoni, L
    Parola, A
    Tosatti, E
    PHYSICAL REVIEW B, 1997, 55 (24) : 16168 - 16175
  • [24] THE VALENCE-BOND THEORY OF MOLECULAR STRUCTURE .2. REFORMULATION OF THE THEORY
    MCWEENY, R
    PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1954, 223 (1154): : 306 - 323
  • [25] CONVERGENCE OF VALENCE BOND AND MOLECULAR-ORBITAL THEORIES
    CAMPION, WJ
    KARPLUS, M
    MOLECULAR PHYSICS, 1973, 25 (04) : 921 - 936
  • [26] Valence bond and molecular orbital descriptions of the three-electron bond
    Harcourt, RD
    JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (13): : 2496 - 2501
  • [27] Property of the Valence-Bond Ordering in Molecular Superconductor with a Quasi-Triangular Lattice
    Yamamoto, Takashi
    Nakazawa, Yasuhiro
    Tamura, Masafumi
    Nakao, Akiko
    Fukaya, Atsuko
    Kato, Reizo
    Yakushi, Kyuya
    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2014, 83 (05)
  • [28] GENERALIZED VALENCE-BOND ORBITAL INTERACTION, STABILITY AND UV SPECTRA OF 1,3-DIENES
    PAL, SK
    INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 1994, 33 (08): : 710 - 718
  • [29] VALENCE-BOND READING OF AB-INITIO MOLECULAR-ORBITAL CLUSTER MODEL WAVE-FUNCTIONS - THE NATURE OF CHEMICAL-BOND IN CORUNDUM
    CLOTET, A
    RICART, JM
    SOUSA, C
    ILLAS, F
    JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1994, 69 (01) : 65 - 71
  • [30] Ordered valence-bond states in symmetric two-dimensional spin-orbital systems
    Zhang, GM
    Shen, SQ
    PHYSICAL REVIEW LETTERS, 2001, 87 (15) : 157201 - 157201