The STUDIA UNIVERSITATIS BABEŞ-BOLYAI issue article summary

The summary of the selected article appears at the bottom of the page. In order to get back to the contents of the issue this article belongs to you have to access the link from the title. In order to see all the articles of the archive which have as author/co-author one of the authors mentioned below, you have to access the link from the author's name.

Iodosylbenzene (iodosobenzene, PhIO) is a known oxygen atom transfer agent with interesting bioinorganic applications (e.g., formation of high-valent iron species), and is regarded as a representative member of a class of hypervalent iodine complexes. Iodine-oxygen bonding is analyzed in this and related complexes, based on molecular orbitals and Mulliken population analyses obtained from density functional theory (DFT) calculations. All data is seen to be straightforwardly interpretable in terms of a sigma dative bond between neutral iodine and oxygen units, as opposed to any alternative explanations involving iodine d-orbitals or hypervalence at the iodine.

Keywords: hypervalence, iodosylbenzene, density functional, iodine