MOLECULAR SPECTROSCOPY AND APPLICATIONS

(Department of Optics and Matter-Radiation Interaction)

  

Institut Carnot de Bourgogne
UMR 5209 CNRS-Université de Bourgogne, 9 av. A. Savary, BP 47 870, F-21078 DIJON Cedex, FRANCE


THE SPHERICAL-TOP FAMILLY


 
The following table is a (probably non-exhaustive) list of spherical-top molecules, that is molecules whose ellipsoid of inertia in the reference configuration is a sphere.

Isotopomers are not included ; solid-state complexes and ions in solutions are not considered.


LEGEND :

Red bold face : high resolution spectra studied in our group.
Blue bold face : low resolution spectra studied in our group.
Type Group Generic name Closed-shell systems Open-shell systems
X4 Td   Be4, Mg4, Ca4, N4, P4, As4  
XY4

Td

 Tetrahydrides CH4, SiH4, GeH4, SnH4, PbH4 NH4
Tetrahydrides (ions) NH4+  
Tetroxydes RuO4, OsO4  
Tetrafluorides CF4, SiF4, GeF4, SnF4  
Tetrachlorides CCl4, SiCl4, GeCl4, SnCl4, PbCl4, TiCl4 VCl4
Tetrabromides CBr4, SiBr4, GeBr4, SnBr4  
Tetraiodides CI4, SiI4, GeI4, SnI4  
X(YZ)4 Td Tetracarbonyls Ni(CO)4  
XY6

Oh

 Hexafluorides SF6, CrF6, SeF6, MoF6, TeF6, XeF6, WF6, PoF6, UF6 TcF6, RuF6, RhF6, ReF6, OsF6, IrF6, PtF6, NpF6, PuF6, AmF6, CmF6
Hexachlorides SCl6, SeCl6, TeCl6, MoCl6, WCl6  
X(YZ)6 Oh Hexacarbonyls Cr(CO)6, Mo(CO)6, W(CO)6 V(CO)6
X8Y8 Oh Cubane C8H8  
X20Y20 Ih Dodecahedrane C20H20  
X60

Ih

 Fullerenes   C60
Fullerenes (ions)   C60+

Programs have been developped in our group for the calculation of spherical-top spectra of tetrahedral (XY4) or octahedral (XY6) molecules and are available for free download.

GENERAL REFERENCES ABOUT SPHERICAL-TOP SPECTROSCOPY

Spherical Top Spectra.
J.-P. Champion, M. Loëte and G. Pierre.
in Spectroscopy of the Earth's Atmosphere and Interstallar Medium, K. N. Rao and A. Weber Editors,
Academic Press, New York, 1992 pp. 339-422.
Development of the Dipole Moment and Polarizability Operators of Octahedral Molecules.
N. Cheblal, M. Löete and V. Boudon.
Journal of Molecular Spectroscopy, 197, 222-231 (1999).
Symmetry-Adapted Tensorial Formalism to Model Rovibrational and Rovibronic Spectra of Molecules Pertaining to Various Point Groups.
V. Boudon, J.-P. Champion, T. Gabard, M. Loëte, F. Michelot, G. Pierre, M. Rotger, Ch. Wenger and M. Rey.
Journal of Molecular Spectroscopy (special issue honoring Dr. J. T. Hougen), 228, 620-634 (2004).


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