Evidence map›Paper›PMID 39860207›Full record

ArticleMolecules (Basel, Switzerland)2025

Absorption Spectrum of Hydroperoxymethyl Thioformate: A Computational Chemistry Study.

David Catalán-Fenollosa, Javier Carmona-García, Ana Borrego-Sánchez, Alfonso Saiz-Lopez, Daniel Roca-Sanjuán

Abstract read
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. Article
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.

David Catalán-FenollosaInstituto de Ciencia Molecular, Universitat de València, Apartado 22085, 46071 Valencia, Spain.ORCID 0009-0007-6684-1389
Javier Carmona-GarcíaInstituto de Ciencia Molecular, Universitat de València, Apartado 22085, 46071 Valencia, Spain.
Ana Borrego-SánchezInstituto de Ciencia Molecular, Universitat de València, Apartado 22085, 46071 Valencia, Spain.
Alfonso Saiz-LopezDepartment of Atmospheric Chemistry and Climate, Institute of Physical Chemistry Blas Cabrera, Consejo Superior de Investigaciones Científicas, 28006 Madrid, Spain.ORCID 0000-0002-0060-1581
Daniel Roca-SanjuánInstituto de Ciencia Molecular, Universitat de València, Apartado 22085, 46071 Valencia, Spain.ORCID 0000-0001-6495-2770

Funding

Generalitat Valenciana CIAICO/2022/121Ministerio de Ciencia, Innovación y Universidades PID2021-127199NB-I00
6 · The paper itself

Abstract

Hydroperoxymethyl thioformate (or HPMTF) is a compound relevant to the chemistry of sulfur in the marine atmosphere. The chemical cycling of this molecule in the atmosphere is still uncertain due in part to the lack of accurate knowledge of its photolytic behavior. Only approximations based on the properties of its chromophores are used in previous studies. In this work, we calculated the absorption spectra of the molecule in gas and aqueous phases using the Nuclear Ensemble Approach (NEA) and the CASPT2 method. Furthermore, we used such information to obtain relative photolysis rates. We found that the chromophore approximation overestimates the photolysis rates in the gas phase by twice the value obtained with the NEA-CASPT2 protocol. Furthermore, for the aqueous phase, we predict a lower role of photolysis as compared to the gas phase.

Indexed as

absorption spectrumCASPT2excited stateshydroperoxymethyl thioformateNuclear Ensemble Approachphotolysis

Identifiers

PMID39860207
PMCPMC11767499

What OpenQuestion holds

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Registered trials

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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.