The rotational spectrum of rhomboidal SiC3

被引:76
|
作者
Apponi, AJ
McCarthy, MC
Gottlieb, CA
Thaddeus, P
机构
[1] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA
[2] Harvard Univ, Div Engn & Appl Sci, Cambridge, MA 02138 USA
来源
JOURNAL OF CHEMICAL PHYSICS | 1999年 / 111卷 / 09期
关键词
D O I
10.1063/1.479694
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
Rhomboidal SiC3, a planar ring with C-2v symmetry and a transannular C-C bond, was detected at centimeter wavelengths in a pulsed supersonic molecular beam with a Fourier transform microwave (FTM) spectrometer, and was subsequently observed in a low-pressure dc glow discharge with a free-space millimeter-wave absorption spectrometer. The rotational spectrum of SiC3 is characterized by large harmonic defects and large splitting of the K-type doublets. Lines in the centimeter-wave band were very strong, allowing the singly substituted isotopic species to be observed in natural abundance. Measurements of the normal and five isotopically substituted species with the FTM spectrometer provided conclusive evidence for the identification and yielded an experimental zero-point (r(0)) structure. Forty-six transitions between 11 and 286 GHz with K(a)less than or equal to 6 were measured in the main isotopic species. Three rotational and nine centrifugal distortion constants in Watson's A-reduced Hamiltonian reproduce the observed spectrum to within a few parts in 10(7) and allow the most intense transitions up to 300 GHz to be calculated with high accuracy. The spectroscopic constants confirm that SiC3 is a fairly rigid molecule: the inertial defect is comparable to those of well-known planar rings and the centrifugal distortion constants are comparable to molecules of similar size. The number of SiC3 molecules in our supersonic molecular beam in each gas pulse is at least 3x10(11), so large that electronic transitions may be readily detectable by laser spectroscopy. (C) 1999 American Institute of Physics. [S0021-9606(99)00330-X].
引用
收藏
页码:3911 / 3918
页数:8
相关论文
共 50 条
  • [1] Rotational spectrum of rhomboidal SiC3
    Apponi, A.J.
    McCarthy, M.C.
    Gottlieb, C.A.
    Thaddeus, P.
    Journal of Chemical Physics, 111 (09):
  • [2] Rhomboidal SiC3
    McCarthy, MC
    Apponi, AJ
    Thaddeus, P
    JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (22): : 10645 - 10648
  • [3] Astronomical detection of rhomboidal SiC3
    Apponi, AJ
    McCarthy, MC
    Gottlieb, CA
    Thaddeus, P
    ASTROPHYSICAL JOURNAL, 1999, 516 (02): : L103 - L106
  • [4] A second rhomboidal isomer of SiC3
    McCarthy, MC
    Apponi, AJ
    Thaddeus, P
    JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (16): : 7175 - 7178
  • [5] Anomalous absorption in rhomboidal SiC3 molecules
    Chandra, S.
    Shinde, S. V.
    BULLETIN OF THE ASTRONOMICAL SOCIETY OF INDIA, 2008, 36 (01): : 55 - 63
  • [6] Equilibrium geometries of cyclic SiC3 isomers
    Stanton, JF
    Gauss, J
    Christiansen, O
    JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (07): : 2993 - 2995
  • [7] The global minimum structure of SiC3:: The controversy continues
    Sattelmeyer, KW
    Schaefer, HF
    Stanton, JF
    JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (21): : 9151 - 9153
  • [8] Linear triplet SiC3 and SiC5: Results of coupled cluster calculations
    Botschwina, P.
    Oswald, R.
    2001, Oldenbourg Wissenschaftsverlag GmbH (215):
  • [9] Anharmonic vibrational levels of the two cyclic isomers of SiC3
    Linguerri, Roberto
    Rosmus, Pavel
    Carter, Stuart
    JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (03):
  • [10] Linear triplet SiC3 and SiC5:: Results of coupled cluster calculations
    Botshwina, P
    Oswald, R
    ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, 2001, 215 : 393 - 400