Evidence map›Paper›PMID 40286056›Full record

ArticleMolecules (Basel, Switzerland)2025

Transient-Absorption Pump-Probe Spectra as Information-Rich Observables: Case Study of Fulvene.

Zhaofa Li, Jiawei Peng, Yifei Zhu, Chao Xu, Maxim F Gelin, Feng Long Gu, Zhenggang Lan

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Molecules (Basel, Switzerland), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors.

Zhaofa LiSchool of Chemistry, South China Normal University, Guangzhou 510006, China.ORCID 0000-0002-1838-6314
Jiawei PengMOE Key Laboratory of Environmental Theoretical Chemistry, SCNU Environmental Research Institute, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety, School of Environment, South China Normal University, Guangzhou 510006, China.
Yifei ZhuMOE Key Laboratory of Environmental Theoretical Chemistry, SCNU Environmental Research Institute, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety, School of Environment, South China Normal University, Guangzhou 510006, China.
Chao XuMOE Key Laboratory of Environmental Theoretical Chemistry, SCNU Environmental Research Institute, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety, School of Environment, South China Normal University, Guangzhou 510006, China.ORCID 0000-0002-6921-6323
Maxim F GelinSchool of Science, Hangzhou Dianzi University, Hangzhou 310018, China.
Feng Long GuMOE Key Laboratory of Environmental Theoretical Chemistry, SCNU Environmental Research Institute, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety, School of Environment, South China Normal University, Guangzhou 510006, China.
Zhenggang LanMOE Key Laboratory of Environmental Theoretical Chemistry, SCNU Environmental Research Institute, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety, School of Environment, South China Normal University, Guangzhou 510006, China.ORCID 0000-0002-8509-0388

Funding

National Natural Science Foundation of China 22333003, 22361132528, 21933011, 22373028
6 · The paper itself

Abstract

Conical intersections (CIs) are the most efficient channels of photodeactivation and energy transfer, while femtosecond spectroscopy is the main experimental tool delivering information on molecular CI-driven photoinduced processes. In this work, we undertake a comprehensive ab initio investigation of the CI-mediated internal conversion in fulvene by simulating evolutions of electronic populations, bond lengths and angles, and time-resolved transient absorption (TA) pump-probe (PP) spectra. TA PP spectra are evaluated on the fly by combining the symmetrical quasiclassical/Meyer-Miller-Stock-Thoss (SQC/MMST) dynamics and the doorway-window representation of spectroscopic signals. We show that the simulated time-resolved TA PP spectra reveal not only the population dynamics but also the key nuclear motions as well as mode-mode couplings. We also demonstrate that TA PP signals are not only experimental observables: They can also be considered as information-rich purely theoretical observables, which deliver more information on the CI-driven dynamics than conventional electronic populations. This information can be extracted by the appropriate theoretical analyses of time-resolved TA PP signals.

Indexed as

conical intersectionsdoorway window approximationsymmetrical quasiclassical/Meyer–Miller–Stock–Thosstransient absorption pump-probe spectroscopy

Identifiers

PMID40286056
PMCPMC11990432

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.