Coordinative saturation of cationic niobium- and rhodium-argon complexes

被引:26
作者
Beyer, M [1 ]
Berg, C [1 ]
Albert, G [1 ]
Achatz, U [1 ]
Bondybey, VE [1 ]
机构
[1] Tech Univ Munich, Inst Theoret & Phys Chem, D-85747 Garching, Germany
关键词
D O I
10.1016/S0009-2614(97)01203-7
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
Mass spectra of Nb+ and Rh+ complexes with argon ligands exhibit 'magic' peaks Nb+Ar4 and Rh+Ar6, similar to observations for V+Ar4 and Co+Ar6, indicating coordinative saturation. A consistent explanation is obtained by assuming that the rare gas ligands seek out electron density minima in the valence shell of the ion, which permit a closer approach to the metal core and a stronger charge-induced dipole bond. Ab initio density functional calculations, which predict stable square planar complexes for the d(4) ions and octahedral for the d(8) species, support this interpretation and show that rare gas complexes of d(4) metal ions fit perfectly well into the coordination chemical framework based on the Jahn-Teller effect. (C) 1997 Elsevier Science B.V.
引用
收藏
页码:459 / 463
页数:5
相关论文
共 28 条
  • [1] Methane activation by rhodium cluster argon complexes
    Albert, G
    Berg, C
    Beyer, M
    Achatz, U
    Joos, S
    NiednerSchatteburg, G
    Bondybey, VE
    [J]. CHEMICAL PHYSICS LETTERS, 1997, 268 (3-4) : 235 - 241
  • [2] EQUILIBRIUM PROPERTIES OF TRANSITION-METAL ION-ARGON CLUSTERS VIA SIMULATED ANNEALING
    ASHER, RL
    MICHA, DA
    BRUCAT, PJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (10) : 7683 - 7695
  • [3] DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE
    BECKE, AD
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) : 5648 - 5652
  • [4] REACTIONS OF SIMPLE HYDROCARBONS WITH NB-N(+) - CHEMISORPTION AND PHYSISORPTION ON IONIZED NIOBIUM CLUSTERS
    BERG, C
    SCHINDLER, T
    NIEDNERSCHATTEBURG, G
    BONDYBEY, VE
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (12) : 4870 - 4884
  • [5] The adiabatic binding energy of NbAr+
    Buthelezi, T
    Bellert, D
    Hayes, T
    Brucat, PJ
    [J]. CHEMICAL PHYSICS LETTERS, 1996, 262 (3-4) : 303 - 307
  • [6] INTERATOMIC POTENTIALS FOR VANDERWAALS COMPLEXES OF GROUP-13 METAL ATOMS - ALAR, ALKR, AND ALXE
    CALLENDER, CL
    MITCHELL, SA
    HACKETT, PA
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (10) : 5252 - 5261
  • [7] THE STRUCTURE OF SEVERAL ELECTRONIC STATES OF THE HG-AR COMPLEX AS DETERMINED BY LASER DOUBLE-RESONANCE IN A SUPERSONIC JET
    DUVAL, MC
    DAZY, OB
    BRECKENRIDGE, WH
    JOUVET, C
    SOEP, B
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (11) : 6324 - 6334
  • [8] Frisch M.J., 1995, GAUSSIAN 94 REVISION
  • [9] RESONANT PHOTOIONIZATION SPECTROSCOPY OF REFRACTORY-METAL RARE-GAS COMPLEXES - ALAR
    GARDNER, JM
    LESTER, MI
    [J]. CHEMICAL PHYSICS LETTERS, 1987, 137 (04) : 301 - 305
  • [10] HAY PJ, 1985, J CHEM PHYS, V82, P299, DOI [10.1063/1.448800, 10.1063/1.448799]