On the Photochemistry of the Low-Lying Excited State of Fe2(CO)6S2. A DFT and QTAIM Investigation
- 12 January 2011
- journal article
- Published by American Chemical Society (ACS) in Organometallics
- Vol. 30 (3), 487-498
- https://doi.org/10.1021/om100799z
Abstract
No abstract availableThis publication has 38 references indexed in Scilit:
- CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT StudyOrganometallics, 2010
- DFT/TDDFT Exploration of the Potential Energy Surfaces of the Ground State and Excited States of Fe2(S2C3H6)(CO)6: A Simple Functional Model of the [FeFe] Hydrogenase Active SiteThe Journal of Physical Chemistry A, 2009
- Structure, Bonding, and Relative Stability of the Ground and Low-Lying Electronic States of CuO2. The Role of Exact ExchangeThe Journal of Physical Chemistry A, 2009
- Interplay among Tetrahedrane, Butterfly Diradical, and Planar Rhombus Structures in the Chemistry of the Binuclear Iron Carbonyl Phosphinidene Complexes Fe2(CO)6(PX)2Journal of the American Chemical Society, 2007
- Time-Dependent Density Functional Theory Study of Fe2(CO)9 Low-Lying Electronic Excited StatesThe Journal of Physical Chemistry A, 2006
- Photoaddition of Fe2S2(CO)6 to C60Inorganic Chemistry, 1994
- The nature of the LUMO in Fe2(CO)6S2 and the bonding in Fe2(CO)6S22-Organometallics, 1984
- Iron-iron .pi.-bonding in Fe2(CO)6S2?Inorganic Chemistry, 1983
- Electronic structure and photoelectron spectra of S2Fe2(CO)6Journal of the American Chemical Society, 1980
- Zur Kenntnis der EisencarbonylchalkogenideZeitschrift für anorganische und allgemeine Chemie, 1958