Skip to content
DraconiticResearch
Search Sources API
203,234 studies31 sourcesUpdated 39 min ago
Peer-reviewedCC BYThe journal of physical chemistry. A

Topology-Controlled Photophysics of Ionized C14H10 Isomers.

  • Anna Maria Reider1
  • Miriam Kappe1
  • Paul Martini2
  • Martin Schmidt1
  • Serge A Krasnokutski3
  • Paul Scheier1
  1. 1University of Innsbruck , Technikerstrasse 25, Innsbruck6020, Austria.
  2. 2University of Stockholm, AlbaNova , Roslagstullsbacken 21, Stockholm11421, Sweden.
  3. 3University of Jena , Helmholtzweg 3, Jena07743, Germany.
Read full textPDFDOICite

Abstract

The optical signatures of polycyclic aromatic hydrocarbons (PAHs) are highly sensitive to their molecular geometry, charge state, and intermolecular interactions. A comparison between the linear anthracene and angular phenanthrene ions highlights how topological effects govern the degree of electronic delocalization in the excited state, resulting in spectroscopic signatures of vibronic coupling, varying oscillator strengths, and nonradiative relaxation pathways. This work presents the UV-vis spectra of the cationic, protonated, and anionic C14H10 isomers utilizing He-tagging action spectroscopy via helium nanodroplet isolation. The linear anthracene cations retain a well-resolved vibronic structure, characteristic of delocalized π-systems, whereas the angular phenanthrene cation produces broader bands typical of enhanced vibronic coupling and a more localized charge distribution. Hydrogenation disrupts conjugation and quenches the vibronic progression most strongly in anthracene. Notably, the broad, weakly structured spectrum of protonated phenanthrene is consistent with the pronounced excited-state twisting predicted by previous calculations. Anionic C14H10, on the other hand, displays weak continua, aligning with low oscillator strengths and rapid autodetachment. Dimerization generally broadens and weakens the absorption features, particularly for phenanthrene, consistent with the coexistence of several low-lying π-stacked isomers and enhanced vibronic coupling. Comparison with matrix isolation and gas-phase spectra supports the high fidelity of the helium nanodroplet approach.

Related

  1. Three-Dimensional Topology from Stacking-Controlled Umklapp Scattering in Large-Angle Twisted Graphite
    Juncheng Li, Cong Chen, Wang Yao
    arXivPreprintCC BY 4.0Full textCondensed matterarXiv
  2. Strain-controlled topology and quantum control at a cubic Ce3+ crystal-field crossing
    A. Ghosh, J. T. Haraldsen
    arXivPreprintCC BY 4.0Full textCondensed matterarXiv
  3. Chirally pinned flat bands, helical minibands, and bias-controlled topology of Jackiw-Rebbi states in a periodically modulated Dirac mass texture
    Tao Zhou
    arXivPreprintCC BY 4.0Full textAtomic, molecular & optical physicsCondensed matterarXiv
  4. How β-Ionone Ring Dynamics and Conformational Heterogeneity Control Carotenoid Photophysics.
    V K Jaiswal, L Uboldi, A Bonvicini +8
    The journal of physical chemistry lettersPeer-reviewedCC BYFull textAtomic, molecular & optical physicsEurope PMC
  5. A new type of skin thickness in high-spin isomers to constrain equation of state of spin-polarized nuclear matter
    Toi Tachibana, Kouichi Hagino, Kenichi Yoshida +1
    arXivPreprintCC BY 4.0Full textNuclear physicsarXiv

Cite

BibTeXRIS
BibTeX
@article{reider2026topologycontrolled,
  title = {{Topology-Controlled Photophysics of Ionized C14H10 Isomers.}},
  author = {Anna Maria Reider and Miriam Kappe and Paul Martini and Martin Schmidt and Serge A Krasnokutski and Paul Scheier},
  journal = {The journal of physical chemistry. A},
  year = {2026},
  month = oct,
  doi = {10.1021/acs.jpca.6c04463},
  url = {https://europepmc.org/article/MED/42917962},
  note = {CC BY},
}
RIS
TY  - JOUR
TI  - Topology-Controlled Photophysics of Ionized C14H10 Isomers.
AU  - Anna Maria Reider
AU  - Miriam Kappe
AU  - Paul Martini
AU  - Martin Schmidt
AU  - Serge A Krasnokutski
AU  - Paul Scheier
PY  - 2026
DA  - 2026/10/01
JO  - The journal of physical chemistry. A
DO  - 10.1021/acs.jpca.6c04463
UR  - https://europepmc.org/article/MED/42917962
AB  - The optical signatures of polycyclic aromatic hydrocarbons (PAHs) are highly sensitive to their molecular geometry, charge state, and intermolecular interactions. A comparison between the linear anthracene and angular phenanthrene ions highlights how topological effects govern the degree of electronic delocalization in the excited state, resulting in spectroscopic signatures of vibronic coupling, varying oscillator strengths, and nonradiative relaxation pathways. This work presents the UV-vis spectra of the cationic, protonated, and anionic C14H10 isomers utilizing He-tagging action spectroscopy via helium nanodroplet isolation. The linear anthracene cations retain a well-resolved vibronic structure, characteristic of delocalized π-systems, whereas the angular phenanthrene cation produces broader bands typical of enhanced vibronic coupling and a more localized charge distribution. Hydrogenation disrupts conjugation and quenches the vibronic progression most strongly in anthracene. Notably, the broad, weakly structured spectrum of protonated phenanthrene is consistent with the pronounced excited-state twisting predicted by previous calculations. Anionic C14H10, on the other hand, displays weak continua, aligning with low oscillator strengths and rapid autodetachment. Dimerization generally broadens and weakens the absorption features, particularly for phenanthrene, consistent with the coexistence of several low-lying π-stacked isomers and enhanced vibronic coupling. Comparison with matrix isolation and gas-phase spectra supports the high fidelity of the helium nanodroplet approach.
SN  - 1089-5639
SN  - 1520-5215
ER  -