Search: onr:"swepub:oai:DiVA.org:uu-94529" >
Frontier electronic...
Frontier electronic structures of Ru(tcterpy)(NCS)3 and Ru(dcbpy)2(NCS)2 : A photoelectron spectroscopy study
-
- Johansson, Erik M. J. (author)
- Uppsala universitet,Fysik I
-
- Hedlund, Maria (author)
- Uppsala universitet,Fysik I
-
- Odelius, Michael (author)
- Stockholms universitet,Fysikum
-
show more...
-
- Siegbahn, Hans (author)
- Uppsala universitet,Fysik I
-
- Rensmo, Håkan (author)
- Uppsala universitet,Fysik I
-
show less...
-
(creator_code:org_t)
- AIP Publishing, 2007
- 2007
- English.
-
In: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 126:24, s. 244303-
- Related links:
-
https://urn.kb.se/re...
-
show more...
-
https://doi.org/10.1...
-
https://urn.kb.se/re...
-
show less...
Abstract
Subject headings
Close
- The frontier electronic structures of Ru(tcterpy)(NCS)(3) [black dye (BD)] and Ru(dcbpy)(2)(NCS)(2) (N719) have been investigated by photoelectron spectroscopy (PES), X-ray absorption spectroscopy (XAS) and resonant photoelectron spectroscopy (RPES). N1s XAS has been used to probe the nitrogen contribution in the unoccupied density of states, and PES, together with RPES over the N1s edge, has been used to delineate the character of the occupied density of states. The experimental findings of the frontier electron structure are compared to calculations of the partial density of states for the nitrogens in the different ligands (NCS and terpyridine/bipyridine) and for Ru4d. The result indicates large similarities between the two complexes. Specifically, the valence level spectra show two well separated structures at low binding energy. The experimental results indicate that the outermost structure in the valence region largely has a Ru4d character but with a substantial character also from the NCS ligand. Interestingly, the second lowest structure also has a significant Ru4d character mixed into the structure otherwise dominated by NCS. Comparing the two complexes the BD valence structures lowest in binding energy contains a large contribution from the NCS ligands but almost no contribution from the terpyridine ligands, while for N719 also some contribution from the bipyridine ligands is mixed into the energy levels.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
- NATURVETENSKAP -- Fysik -- Subatomär fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Subatomic Physics (hsv//eng)
Keyword
- dyes
- electronic density of states
- photoelectron spectra
- X-ray absorption spectra
- valence bands
- binding energy
- Physics
- Fysik
- Quantum chemistry
- kvantkemi
Publication and Content Type
- ref (subject category)
- art (subject category)
Find in a library
To the university's database