Subject: Bond length of HCl gas

From: "Thishana Singh" <[email-masked]>
Date: Tue, 29 Feb 2000 08:16:09 +0200

Dear CClers
Can anyone help me in locating a literature value for the bond length of HCl 
gas ?
Where can I find this value ?
Thank you

Thishana Singh
Lab Assistant
Dept.Of Chemistry
ML Sultan Technikon
Durban
South Africa
email : [email-masked]

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From: Harald Svedung <[email-masked]>
Date: Tue, 29 Feb 2000 11:21:39 +0100 (MET)

Hi Thishana Singh and all,

The value of 1.27455 Angstrom can be found for the ground state in:

Huber, Herzberg, 'Molecular Spectra and Molecular Structure 4, Constants 
of Diatomic Molecules', Van Nostrand N.Y. (1979)

(i.e. spectroscopic data)

:-)
/Harald

On Tue, 29 Feb 2000, Thishana Singh wrote:

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Harald Svedung (Ph.Lic.)                phone:          +46-31-7722816
Department of Chemistry                 fax:            +46-31-167194
Physical Chemistry                      home phone:     +46-31-240897, +46-709223206	
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From: uccatvm <[email-masked]>
Date: Tue, 29 Feb 2000 10:40:35 +0000 (GMT)

Hi Thishana,

> Where can I find this value ?

If it is the bond length of HCl in the gas phase that you are interested in, 
you may have a look at:
T. van Mourik and T.H. Dunning, Jr., Int. J. Quantum Chem. 76, 205 (2000).  

In this paper, we report spectroscopic constants (including equilibrium
bond lengths, harmonic frequencies, and anharmonicity constants) of
a few diatomic molecules, among them HCl. These have been calculated
with several theoretical methods and the correlation consistent basis
sets up to aug-cc-pV6Z.

Best regards,

Tanja
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