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Intraconfigurational Transition due to Surface-Induced Symmetry Breaking in Noncovalently Bonded Molecules
- Source :
- Bouatou, M, Harsh, R, Joucken, F, Chacon, C, Repain, V, Bellec, A, Girard, Y, Rousset, S, Sporken, R, Gao, F, Brandbyge, M, Dappe, Y J, Barreteau, C, Smogunov, A & Lagoute, J 2020, ' Intraconfigurational Transition due to Surface-Induced Symmetry Breaking in Noncovalently Bonded Molecules ', Journal of Physical Chemistry Letters, vol. 11, no. 21, pp. 9329-9335 . https://doi.org/10.1021/acs.jpclett.0c02407, The Journal of Physical Chemistry Letters, Journal of Physical Chemistry Letters, Journal of Physical Chemistry Letters, American Chemical Society, 2020, 11 (21), pp.9329-9335. ⟨10.1021/acs.jpclett.0c02407⟩, Journal of Physical Chemistry Letters, 2020, 11 (21), pp.9329-9335. ⟨10.1021/acs.jpclett.0c02407⟩, Bouatou, M, Harsh, R, Joucken, F, Chacon, C, Repain, V, Bellec, A, Girard, Y, Rousset, S, Sporken, R, Gao, F, Brandbyge, M, Dappe, Y J, Barreteau, C, Smogunov, A & Lagoute, J 2020, ' Intraconfigurational transition due to surface-induced symmetry breaking in noncovalently bonded molecules ', Journal of Physical Chemistry Letters, vol. 11, no. 21, pp. 9329-9335 . https://doi.org/10.1021/acs.jpclett.0c02407
- Publication Year :
- 2020
- Publisher :
- American Chemical Society (ACS), 2020.
-
Abstract
- The interaction of molecules with surfaces plays a crucial role in the electronic and chemical properties of supported molecules and needs a comprehensive description of interfacial effects. Here, we unveil the effect of the substrate on the electronic configuration of iron porphyrin molecules on Au(111) and graphene, and we provide a physical picture of the molecule-surface interaction. We show that the frontier orbitals derive from different electronic states depending on the substrate. The origin of this difference comes from molecule-substrate orbital selective coupling caused by reduced symmetry and interaction with the substrate. The weak interaction on graphene keeps a ground state configuration close to the gas phase, while the stronger interaction on gold stabilizes another electronic solution. Our findings reveal the origin of the energy redistribution of molecular states for noncovalently bonded molecules on surfaces.
- Subjects :
- Materials science
Graphene
02 engineering and technology
Weak interaction
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
0104 chemical sciences
law.invention
Atomic orbital
law
Chemical physics
Molecule
General Materials Science
Redistribution (chemistry)
Electron configuration
Symmetry breaking
[PHYS.COND]Physics [physics]/Condensed Matter [cond-mat]
Physics::Chemical Physics
Physical and Theoretical Chemistry
0210 nano-technology
Ground state
ComputingMilieux_MISCELLANEOUS
Subjects
Details
- ISSN :
- 19487185
- Volume :
- 11
- Database :
- OpenAIRE
- Journal :
- The Journal of Physical Chemistry Letters
- Accession number :
- edsair.doi.dedup.....3a97c0ffb1e16a51b96c3b446d53bccb