BONDING IN COMPLEXES OF HG(6S6S1S0) AND HG(6S6P3P1) WITH RARE-GAS ATOMS AND SMALL MOLECULES - FROM PHYSICAL TO CHEMICAL INTERACTIONS

被引:76
作者
DUVAL, MC
SOEP, B
BRECKENRIDGE, WH
机构
[1] UNIV PARIS 11, CNRS, PHOTOPHYS MOLEC LAB, BAT 213, F-91405 ORSAY, FRANCE
[2] UNIV PARIS 11, INST PHYSICOCHIM MOLEC, F-91405 ORSAY, FRANCE
[3] UNIV UTAH, DEPT CHEM, SALT LAKE CITY, UT 84112 USA
关键词
D O I
10.1021/j100172a013
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
The van der Waals' bonding of atoms and molecules has become an increasingly important topic of study in the past few years in many areas of physical chemistry. One of the challenges of such studies is to characterize where weak, "physical" (multipole) interactions are sufficient to describe the bonding, and where stronger "chemical" (electron-sharing) interactions begin to be important. We show in this Feature Article that the bonding in complexes of ground-state Hg(6s6s1S0) and excited-state Hg(6s6p3P1) with rare-gas atoms and small molecules varies from purely physical to strongly chemical. In complexes of the filled-shell Hg(6s6s1S0) state with rare gases and molecules such as H-2, CH4, NH3, or H2O the bonding and structure can be understood within the context of weak, long-range multipolar interactions and short-range Pauli repulsions: "physical" (van der Waals) bonding. On the other hand, such interactions in the analogous complexes of the excited Hg(6s6p3P1) state can vary from essentially physical (with rare gases or CH4) to chemical (with H2O, NH3, H-2, or Hg).
引用
收藏
页码:7145 / 7153
页数:9
相关论文
共 102 条
  • [81] THE MICROWAVE-SPECTRUM OF THE K=O STATES OF AR-NH3
    NELSON, DD
    FRASER, GT
    PETERSON, KI
    ZHAO, K
    KLEMPERER, W
    LOVAS, FJ
    SUENRAM, RD
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (10) : 5512 - 5518
  • [82] INTERACTION OF NH3 WITH OXYGEN-PREDOSED NI(111)
    NETZER, FP
    MADEY, TE
    [J]. SURFACE SCIENCE, 1982, 119 (2-3) : 422 - 432
  • [83] VIBRATIONAL STRUCTURE OF SOME HG2 FLUORESCENT BANDS
    NIEFER, RJ
    ATKINSON, JB
    KRAUSE, L
    [J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1983, 16 (20) : 3767 - 3773
  • [84] NEW COUMARIN DYES WITH RIGIDIZED STRUCTURE FOR FLASHLAMP-PUMPED DYE LASERS
    REYNOLDS, GA
    DREXHAGE, KH
    [J]. OPTICS COMMUNICATIONS, 1975, 13 (03) : 222 - 225
  • [85] C-H AND H-H ACTIVATION IN TRANSITION-METAL COMPLEXES AND ON SURFACES
    SAILLARD, JY
    HOFFMANN, R
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (07) : 2006 - 2026
  • [86] THE H2O-MG VANDERWAALS COMPLEX - A THEORETICAL-STUDY
    SAUER, J
    KATHAN, B
    AHLRICHS, R
    [J]. CHEMICAL PHYSICS, 1987, 113 (02) : 201 - 209
  • [87] FREE SODIUM-WATER CLUSTERS - PHOTOIONISATION STUDIES IN A PULSED MOLECULAR-BEAM SOURCE
    SCHULZ, CP
    HAUGSTATTER, R
    TITTES, HU
    HERTEL, IV
    [J]. ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1988, 10 (2-3): : 279 - 290
  • [88] CHEMISORPTION AND REACTION OF NH3 ON NI(111)
    SEABURY, CW
    RHODIN, TN
    PURTELL, RJ
    MERRILL, RP
    [J]. SURFACE SCIENCE, 1980, 93 (01) : 117 - 126
  • [89] A THEORETICAL-MODEL OF METAL-SURFACE REACTIONS
    SHUSTOROVICH, E
    BAETZOLD, RC
    MUETTERTIES, EL
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (07) : 1100 - 1113
  • [90] ELECTRONIC-STRUCTURE OF LI-H2O AND RELATED NEUTRAL MOLECULAR COMPLEXES, INCLUDING AL-H2O
    TRENARY, M
    SCHAEFER, HF
    KOLLMAN, PA
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (09) : 4047 - 4050