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Related Experiment Video

Updated: Dec 10, 2025

Examining Monosynaptic Connections in Drosophila Using Tetrodotoxin Resistant Sodium Channels
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Multiple ESIPT pathways originating from three-state conical intersections in tropolone.

Probal Nag1, Sivaranjana Reddy Vennapusa1

  • 1Indian Institute of Science Education and Research Thiruvananthapuram, Maruthamala PO, Vithura, Thiruvananthapuram 695551, Kerala, India.

The Journal of Chemical Physics
|September 3, 2020
PubMed
Summary
This summary is machine-generated.

Tropolone

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Area of Science:

  • Theoretical Chemistry
  • Quantum Dynamics
  • Spectroscopy

Background:

  • Tropolone exhibits complex electronic excited states (S1, S2, S3).
  • Understanding internal conversion decay is crucial for its photochemistry.

Purpose of the Study:

  • Investigate internal conversion decay dynamics in tropolone's excited states.
  • Explore conical intersections and vibronic coupling effects.

Main Methods:

  • Linear vibronic coupling approach.
  • Diabatic vibronic Hamiltonian with 32 vibrational degrees of freedom.
  • Simulation of photoinduced S0 → S1 and S0 → S2 transitions.

Main Results:

  • Direct nonadiabatic population transfer from S1 to S3 observed, bypassing S2.
  • Wavepacket on S2 passes through S2-S3 and S1-S3 conical intersections.
  • Identified multiple proton transfer channels on coupled potential energy surfaces.

Conclusions:

  • Internal conversion in tropolone is complex, involving multiple excited states and conical intersections.
  • Proton tunneling dynamics require advanced treatment beyond simple double well potentials.