Electronic structure of cobalt valence tautomeric molecules in different environments.

Autor:	Mishra E; Department of Physics and Astronomy, University of Nebraska-Lincoln, Lincoln, NE 68588, USA. Streubel@unl.edu., Ekanayaka TK; Department of Physics and Astronomy, University of Nebraska-Lincoln, Lincoln, NE 68588, USA. Streubel@unl.edu., Panagiotakopoulos T; Department of Physics, University of Central Florida, Orlando, FL 32816, USA. talat@ucf.edu., Le D; Department of Physics, University of Central Florida, Orlando, FL 32816, USA. talat@ucf.edu., Rahman TS; Department of Physics, University of Central Florida, Orlando, FL 32816, USA. talat@ucf.edu., Wang P; Department of Chemistry and Biochemistry, Florida State University, Tallahassee, FL 32306, USA., McElveen KA; Department of Chemistry, University of Nebraska-Lincoln, Lincoln, NE, 68588, USA., Phillips JP; Department of Physics, Indiana University-Purdue University Indianapolis, Indianapolis, Indiana 46202, USA., Zaid Zaz M; Department of Physics and Astronomy, University of Nebraska-Lincoln, Lincoln, NE 68588, USA. Streubel@unl.edu., Yazdani S; Department of Physics, Indiana University-Purdue University Indianapolis, Indianapolis, Indiana 46202, USA., N'Diaye AT; Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA., Lai RY; Department of Chemistry, University of Nebraska-Lincoln, Lincoln, NE, 68588, USA., Streubel R; Department of Physics and Astronomy, University of Nebraska-Lincoln, Lincoln, NE 68588, USA. Streubel@unl.edu.; Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, Lincoln, NE 68588, USA., Cheng R; Department of Physics, Indiana University-Purdue University Indianapolis, Indianapolis, Indiana 46202, USA., Shatruk M; Department of Chemistry and Biochemistry, Florida State University, Tallahassee, FL 32306, USA., Dowben PA; Department of Physics and Astronomy, University of Nebraska-Lincoln, Lincoln, NE 68588, USA. Streubel@unl.edu.
Jazyk:	angličtina
Zdroj:	Nanoscale [Nanoscale] 2023 Feb 02; Vol. 15 (5), pp. 2044-2053. Date of Electronic Publication: 2023 Feb 02.
DOI:	10.1039/d2nr06834f
Abstrakt:	Future molecular microelectronics require the electronic conductivity of the device to be tunable without impairing the voltage control of the molecular electronic properties. This work reports the influence of an interface between a semiconducting polyaniline polymer or a polar poly-D-lysine molecular film and one of two valence tautomeric complexes, i.e. , [Co III (SQ)(Cat)(4-CN-py) 2 ] ↔ [Co II (SQ) 2 (4-CN-py) 2 ] and [Co III (SQ)(Cat)(3-tpp) 2 ] ↔ [Co II (SQ) 2 (3-tpp) 2 ]. The electronic transitions and orbitals are identified using X-ray photoemission, X-ray absorption, inverse photoemission, and optical absorption spectroscopy measurements that are guided by density functional theory. Except for slightly modified binding energies and shifted orbital levels, the choice of the underlying substrate layer has little effect on the electronic structure. A prominent unoccupied ligand-to-metal charge transfer state exists in [Co III (SQ)(Cat)(3-tpp) 2 ] ↔ [Co II (SQ) 2 (3-tpp) 2 ] that is virtually insensitive to the interface between the polymer and tautomeric complexes in the Co II high-spin state.
Databáze:	MEDLINE
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