Bonding in ground-state and excited-state A+•Rg van der Waals ions (A = atom, Rg = rare-gas atom):: A model-potential analysis

被引:151
|
作者
Bellert, D [1 ]
Breckenridge, WH [1 ]
机构
[1] Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA
关键词
D O I
10.1021/cr980090e
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A review is given of the extensive experimental and theoretical information now available for A+·Rg diatomic ion interactions. Data for several A+·Rg ground and excited states are interpreted using a model potential consisting of calculated attractive terms with dependence on A+/Rg distances ranging from 1/R4 to 1/R8 and an AebR repulsive term derived empirically from experimental or ab initio data on bond energies De, bond distances Re, and fundamental vibrational frequencies we. It is shown that in most cases, such a "physical" model of bonding in A+·Rg diatomic molecules is adequate, qualitatively reasonable, and quite useful in comparing the A+/Rg interactions for a wide variety of such complexes.
引用
收藏
页码:1595 / 1622
页数:28
相关论文
共 23 条
  • [21] Theoretical Study of Ground-State Barium-Rare Gas Van der Waals Complexes: Combining Rule Modeling and Ab Initio Calculations
    Saidi, Samah
    Bejaoui, Mohamed
    Berriche, Hamid
    ACS OMEGA, 2024, 9 (30): : 32407 - 32417
  • [22] Alignment of open-shell p-orbitals and d-orbitals: Bonding in electronic states of diatomic metal-atom/rare-gas van der Waals complexes.
    Massick, S
    Kaup, JG
    Leung, AWK
    Gau, B
    Breckenridge, WH
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, 213 : 262 - PHYS
  • [23] On the origin of the heavy atom effect in the fine-structure splitting of the 1 (2)Pi state of alkali metal P-2-rare gas van der Waals molecules
    Sohlberg, K
    Yarkony, DR
    JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (19): : 7690 - 7694