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

Journal of the American Chemical Society
Ioan Silaghi-DumitrescuR Bruce King

Abstract

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.

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Citations

Nov 22, 2011·Inorganic Chemistry·Liqing ZhouR Bruce King
May 23, 2012·The Journal of Physical Chemistry. a·Jamie L BingamanEdwin J Heilweil
Nov 12, 2009·Dalton Transactions : an International Journal of Inorganic Chemistry·Reiner Lomoth, Sascha Ott
Dec 22, 2009·Dalton Transactions : an International Journal of Inorganic Chemistry·Guoliang LiHenry F Schaefer Iii
Sep 22, 2010·Dalton Transactions : an International Journal of Inorganic Chemistry·Zohreh MoatazediDaniel B Leznoff
Oct 20, 2010·Dalton Transactions : an International Journal of Inorganic Chemistry·Zhonghua SunHenry F Schaefer
Mar 27, 2012·Physical Chemistry Chemical Physics : PCCP·Menyhárt B SárosiR Bruce King
Jan 17, 2015·The Journal of Physical Chemistry. a·Zhongwen OuR Bruce King
May 7, 2015·Physical Chemistry Chemical Physics : PCCP·Hongfang YangYuxiang Bu
Jan 17, 2015·The Journal of Physical Chemistry. a·Shida GongHenry F Schaefer
Nov 8, 2016·European Journal of Inorganic Chemistry·Peihua ZhaoThomas B Rauchfuss
Jun 4, 2016·Chemical Reviews·Yulong Li, Thomas B Rauchfuss
Nov 27, 2014·The Journal of Physical Chemistry. a·Benjamin W CaplinsCharles B Harris
Oct 3, 2013·The Journal of Physical Chemistry. B·Melissa JohnsonEdwin J Heilweil
Sep 20, 2012·Dalton Transactions : an International Journal of Inorganic Chemistry·Pim W J M FrederixNeil T Hunt
Sep 26, 2012·Dalton Transactions : an International Journal of Inorganic Chemistry·Peter T Burks, Peter C Ford
Nov 15, 2010·International Journal of Quantum Chemistry·Stefan Motiu, Valentin Gogonea
Feb 12, 2021·The Journal of Physical Chemistry. a·Amber MeyersChristopher J Stromberg
Mar 3, 2021·Inorganic Chemistry·Federica ArrigoniThomas B Rauchfuss
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Jul 12, 2011·Journal of Chemical Theory and Computation·Lihong TangHenry F Schaefer
Apr 14, 2018·The Journal of Physical Chemistry. a·Christopher J Stromberg, Edwin J Heilweil

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