Butterfly diradical intermediates in photochemical reactions of Fe2(CO)6(mu-S2)

Autor:	R. Bruce King, Ioan Silaghi-Dumitrescu, Thomas E. Bitterwolf
Rok vydání:	2006
Předmět:	Diradical Infrared Photodissociation General Chemistry Photochemistry Biochemistry Catalysis chemistry.chemical_compound Colloid and Surface Chemistry chemistry Nujol Density functional theory Singlet state Tetrahedrane
Zdroj:	Journal of the American Chemical Society. 128(16)
ISSN:	0002-7863
Popis:	Photolysis of the tetrahedrane Fe2(CO)6(mu-S2) at 450 +/- 35 nm in a Nujol matrix at low temperatures gives an isomer characterized by its nu(CO) infrared frequencies. Comparison of these experimental frequencies with those calculated by density functional theory using the BP86 functional indicates this photoisomer to be the butterfly singlet diradical Fe2(CO)6S2 isomer in which the S-S bond of the tetrahedrane is broken but the Fe-Fe bond is retained. Photolysis at higher energies (420-280 nm) results in CO loss from this singlet butterfly diradical as indicated again by comparison of the experimental infrared nu(CO) frequencies with those calculated for an Fe2(CO)5S2 isomer of this type.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9082f50c53ffc82a1a8d0b2eb554d5b5 https://pubmed.ncbi.nlm.nih.gov/16620096 Zobrazit plný text záznamu