Evidence map›Paper›PMID 38352689›Full record

ArticleRSC advances2024

Closed-shell d

Fernando Mendizabal, María Luisa Ceron, Dina Lara, Sebastián Miranda-Rojas

Abstract read
In one paragraph

Article in RSC advances, 2024. 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

4 authors.

Fernando MendizabalDepartamento de Química, Facultad de Ciencias, Universidad de Chile Casilla 653 Santiago Chile hagua@uchile.cl.ORCID https://orcid.org/0000-0002-6912-8630
María Luisa CeronFacultad de Ingeniería, Universidad Finis Terrae Av. Pedro de Valdivia 1509, Providencia Santiago Chile lceron@uft.cl.
Dina LaraDepartamento de Química, Facultad de Ciencias, Universidad de Chile Casilla 653 Santiago Chile hagua@uchile.cl.
Sebastián Miranda-RojasDepartamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andrés Bello Avenida República 275 Santiago Chile sebastian.miranda@unab.cl.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The electronic structure, spectroscopic properties, and solid state chemistry of monomer and dimers of [AuPh(CNPh)] complex were studied at post-Hartree-Fock (MP2, SCS-MP2, and CC2) and density functional theory levels. The absorption spectra of these complexes were calculated using single excitation time-dependent (TD) methods at DFT, CC2, and SCS-CC2 levels. The influences of the bulk are accounted for at the PBE-D3 level, incorporating dispersion effects. The calculated values agree with the experimental range, where absorption and emission energies reproduce experimental trends with large Stokes shifts. The aurophilic interaction is identified as a key factor influencing the spectroscopic and structural properties of these complexes. The intermetallic interactions were found as the main factor responsible for MMCT electronic transitions in the models studied.

Identifiers

PMID38352689
PMCPMC10863605

What OpenQuestion holds

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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.