Molecular stmcture diatomic molecule

K. P. Huber and G. Herzberg, Molecular Spectra and Molecular Stmcture, Vol. TV, Constants of Diatomic Molecules, Van Nostrand Reinhold, New York (1979). 

If we want to predict the stmcture, the stability and the vibrational and rotational spectra of Van der Waals molecules, we have to know the complete intermolecular potential as a function of the intermolecular distancefs) and the molecular orientations. For rare gas dimers and for some rare gas atom-diatomic molecule (e.g. H2, HCl) systems rather detailed information about the potential is available from experiment , from ab initio calculations or both ... 

This volume contains data on the geometric parameters (intemuclear distances, bond angles, dihedral angles of internal rotation etc.) of free polyatomic molecules including free radicals and molecular ions. (For the diatomic stmctures measured by high-resolution spectroscopy, see [1], and for molecular stmctures in crystals, see [2].)... 

I-l G. Herzberg "Molecular Spectra and Molecular Stmcture I. Spectra of Diatomic Molecules",... 

MulUken, R. S. 1926b. Systematic relations between electronic stmcmre and band-spectmm stmcmre in diatomic molecules. 111. Molecule formation and molecular stmcture. Proceedings of the National Academy of Sciences of the United States of America 12 338-343. 

Ransil, B. J. 1960. Studies in molecular stmcture. I. Scope and summary of the diatomic molecule program. Reviews of Modem Physics 32 239-244. 

Herzberg, G. (1950) Molecular spectra and molecular stmcture. Spectra of Diatomic Molecules, 2nd edn, vol. 1, van Nostrand, Princeton. 

Infrared spectroscopy has broad appHcations for sensitive molecular speciation. Infrared frequencies depend on the masses of the atoms iavolved ia the various vibrational motions, and on the force constants and geometry of the bonds connecting them band shapes are determined by the rotational stmcture and hence by the molecular symmetry and moments of iaertia. The rovibrational spectmm of a gas thus provides direct molecular stmctural information, resulting ia very high specificity. The vibrational spectmm of any molecule is unique, except for those of optical isomers. Every molecule, except homonuclear diatomics such as O2, N2, and the halogens, has at least one vibrational absorption ia the iafrared. Several texts treat iafrared iastmmentation and techniques (22,36—38) and thek appHcations (39—42). 

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