Evidence map›Paper›PMID 41710198›Full record

ArticleChemical science2026

Understanding the photochemistry of a crystalline push-pull norbornadiene photoswitch.

Federico J Hernández, Jordan M Cox, Jingbai Li, Steven Lopez, Rachel Crespo-Otero

Abstract read
In one paragraph

Article in Chemical science, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing 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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

5 authors.

Federico J HernándezDepartment of Chemistry, Queen Mary University of London Mile End Road London E1 4NS UK f.hernandez@qmul.ac.uk.ORCID https://orcid.org/0000-0001-7497-9424
Jordan M CoxDepartment of Chemistry and Chemical Biology, Northeastern University Boston MA 02115 USA s.lopez@northeastern.edu.
Jingbai LiHoffmann Institute of Advanced Materials, Shenzhen Polytechnic University 7098 Liuxian Blvd Nanshan District Shenzhen 518055 People's Republic of China lijingbai@szpu.edu.cn.ORCID https://orcid.org/0000-0003-4743-0318
Steven LopezDepartment of Chemistry and Chemical Biology, Northeastern University Boston MA 02115 USA s.lopez@northeastern.edu.ORCID https://orcid.org/0000-0002-8418-3638
Rachel Crespo-OteroDepartment of Chemistry, University College London London WC1 H0AJ UK r.crespo-otero@ucl.ac.uk.ORCID https://orcid.org/0000-0002-8725-5350

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Molecular solar thermal (MOST) materials store and release solar energy through light-induced reversible reactions involving molecular photoswitches. Solid-state crystalline MOST materials can offer higher energy densities and easier device integration than their liquid counterparts. However, their photochemical mechanisms remain poorly understood. Norbornadiene (NBD), which undergoes a [2 + 2]-photocycloaddition to form its photoisomer quadricyclane (QC), has been proposed as a candidate for MOST applications. We used multiconfigurational quantum mechanical calculations and non-adiabatic molecular dynamics to investigate the mechanism of a push-pull NBD-derivative, 1,5,6-trimethyl-2,3-dicyanonorbornadiene (TMDCNBD). This study demonstrates a cutting-edge multiscale ONIOM(QM/QM') nonadiabatic molecular dynamics framework in TMDCNBD crystals. The crystal packing of TMDCNBD preserves molecular flexibility, enabling ultrafast [2 + 2]-photocycloaddition

Identifiers

PMID41710198
PMCPMC12910361

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

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.