Reaction of Molecular Oxygen with an NHC-Coordinated Pd0 Complex: Computational Insights and Experimental Implications

✍ Scribed by Brian V. Popp; Johanna E. Wendlandt; Clark R. Landis; Shannon S. Stahl

• Book ID: 101561126
• Publisher: John Wiley and Sons
• Year: 2007
• Tongue: English
• Weight: 231 KB
• Volume: 46
• Category: Article
• ISSN: 0044-8249
• DOI: 10.1002/anie.200603667

✦ Synopsis

We thank M. Konnick for providing (IMes) 2 Pd 0 . Financial support and computational resources from the following agencies and the UW Parallel Computing Center are gratefully acknowledged: NSF (CHE-0094344 and CHE-0091916), NCSA (CHE-060010T), and gifts from Intel Corporation. NHC = N-heterocyclic carbene.

Supporting information (including computational details, all benchmarking results, and isotope-effect calculation details) for this article is available on the WWW under http://www.angewandte.org or from the author.