From chemistry-request@server.ccl.net Mon Mar 31 21:16:14 2003 Received: from puck.reed.edu ([134.10.2.8]) by server.ccl.net (8.11.6/8.11.0) with SMTP id h312GEC01146 for ; Mon, 31 Mar 2003 21:16:14 -0500 Received: (qmail 20686 invoked from network); 1 Apr 2003 02:12:32 -0000 Received: from rosencrantz.reed.edu (134.10.2.31) by puck.reed.edu with SMTP; 1 Apr 2003 02:12:32 -0000 Message-id: <11647331@rosencrantz.reed.edu> Date: 31 Mar 2003 18:16:14 PST From: Alan.Shusterman@directory.reed.edu (Alan Shusterman) Subject: M-NO2 frequencies To: chemistry@ccl.net MIME-Version: 1.0 Content-Type: text/enriched Content-Disposition: inline I'm trying to distinguish a Co-NO2 complex from a Co-O-NO complex using mid-IR. The complexes are low-spin, closed-shell, and I'm wondering what theoretical model might give reasonable predictions for the ligand's vibrational frequencies. Any experience with this problem or pointers to published articles would be appreciated. Thanks, -Alan ==== Alan Shusterman Department of Chemistry Reed College 3203 S.E. Woodstock Blvd. Portland, OR 97202 503-517-7699