From chemistry-request@server.ccl.net Tue Feb 29 05:41:09 2000 Received: from mail-c.bcc.ac.uk (mail-c.bcc.ac.uk [144.82.100.23]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id FAA24304; Tue, 29 Feb 2000 05:41:09 -0500 Received: from socrates-a.ucl.ac.uk by mail-c.bcc.ac.uk with SMTP (Mailer); Tue, 29 Feb 2000 10:40:23 +0000 From: uccatvm Message-Id: <2617.200002291040@socrates-a.ucl.ac.uk> Subject: Re: CCL:Bond length of HCl gas To: singht@wpogate.mlsultan.ac.za (Thishana Singh) Date: Tue, 29 Feb 2000 10:40:35 +0000 (GMT) Cc: chemistry@ccl.net (chemistry), chemistry-request@ccl.net (chemistry-request) In-Reply-To: from "Thishana Singh" at Feb 29, 2000 10:40:01 AM X-Mailer: ELM [version 2.5 PL3] MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi Thishana, > Can anyone help me in locating a literature value for the bond length of HCl > gas ? > 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 -- ==================================================================== Tanja van Mourik phone University College London work: +44 (0)207-679-4665 Christopher Ingold Laboratories home: +44 (0)1895-259-312 20 Gordon Street e-mail London WC1H 0AJ work: T.vanMourik@ucl.ac.uk United Kingdom home: tanja@netcomuk.co.uk ====================================================================