Evidence for a lowest energy 3MLCT excited state in [Fe(tpy)(CN)3]

Sebastian B Vittardi; Rajani Thapa Magar; Briana R Schrage; Christopher J Ziegler; Elena Jakubikova; Jeffrey J Rack

doi:10.1039/d1cc01090e

Evidence for a lowest energy ³MLCT excited state in [Fe(tpy)(CN)₃]

Chem Commun (Camb). 2021 May 11;57(38):4658-4661. doi: 10.1039/d1cc01090e.

Authors

Sebastian B Vittardi¹, Rajani Thapa Magar¹, Briana R Schrage², Christopher J Ziegler², Elena Jakubikova³, Jeffrey J Rack¹

Affiliations

¹ Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, NM 87131, USA. [email protected].
² Department of Chemistry, North Carolina State University, Raleigh, NC 27695, USA.
³ Knight Chemical Laboratory, Department of Chemistry, University of Akron, Akron, OH, USA. [email protected].

PMID: 33977987
DOI: 10.1039/d1cc01090e

Abstract

Transient absorption data of [FeII(tpy)(CN)3]- reveals spectroscopic signatures indicative of 3MLCT with a ∼10 ps kinetic component. These data are supported by DFT and TD-DFT calculations, which show that excited state ordering is responsive to the number of cyanide ligands on the complex.