From chemistry-request # - at - # server.ccl.net  Fri Dec 15 13:38:22 2000
Received: from ccl.net (atlantis.ccl.net [192.148.249.4])
	by server.ccl.net (8.8.7/8.8.7) with ESMTP id NAA00481
	for <chemistry*- at -*ccl.net>; Fri, 15 Dec 2000 13:38:22 -0500
Received: from uscmail.usc.es (uscmail.usc.es [193.144.75.8])
	by ccl.net (8.9.3/8.9.3/OSC 2.0) with ESMTP id NAA21625
	for <chemistry ^%at%^ ccl.net>; Fri, 15 Dec 2000 13:37:57 -0500 (EST)
Received: from qfsaulo.usc.es (qfsaulo.usc.es [193.144.74.185])
	by uscmail.usc.es (8.9.1/8.9.1) with ESMTP id TAA10967
	for <chemistry -8 at 8- ccl.net>; Fri, 15 Dec 2000 19:37:57 +0100 (MET)
Message-Id: <5.0.0.25.0.20001215193649.009f77e0:~at~:correo.usc.es>
X-Sender: qfsaulo.,at,.correo.usc.es
X-Mailer: QUALCOMM Windows Eudora Version 5.0
Date: Fri, 15 Dec 2000 19:40:39 +0100
To: chemistry[ AT ]ccl.net
From: Saulo =?iso-8859-1?Q?V=E1zquez?= <qfsaulo- at -usc.es>
Mime-Version: 1.0
Content-Type: text/plain; charset="us-ascii"; format=flowed

Dear subscribers,

We would like to know what could be considered
the spin-orbit coupling of the CH3O (methoxy) radical to
estimate the electronic degeneracy for its ground state.
The literature only reports spin-orbit splitting values for
individual vibrational modes (for instance, Lee et al.
J. Chem. Phys. 99, 9465 (1993).
The question is: How do we estimate the spin orbit coupling
of the methoxy radical in its ground state (doublet E) which
we need for the electronic degeneracy? Would it be an average
of the splitting of each mode?
Any hints on how to approach this problem would be deeply
appreciated. A summary of the responses will be sent to the
list.

Many thanks in advance.
Saulo A. Vazquez
Departamento de Quimica Fisica
Universidad de Santiago de Compostela
Santiago de Compostela
Spain