Evidence map›Paper›PMID 39860241›Full record

ArticleMolecules (Basel, Switzerland)2025

2,4-Dichlorophenoxyacetic Acid in the Gas and Crystal Phases and Its Intercalation in Montmorillonite-An Experimental and Theoretical Study.

Claro Ignacio Sainz-Díaz, Nelly L Jorge, Jorge M Romero, André Grand, Alfonso Hernández-Laguna

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.

Claro Ignacio Sainz-DíazInstituto Andaluz de Ciencias de la Tierra (IACT-CSIC), Consejo Superior de Investigaciones Científicas, Av. de las Palmeras 4, 18100 Armilla, Granada, Spain.
Nelly L JorgeLaboratorio de Investigaciones en Tecnología del Medio Ambiente, Área de Química Física, Facultad de Ciencias Exactas y Naturales y Agrimensura, Universidad del Nordeste, Corrientes 3400, Argentina.
Jorge M RomeroLaboratorio de Investigaciones en Tecnología del Medio Ambiente, Área de Química Física, Facultad de Ciencias Exactas y Naturales y Agrimensura, Universidad del Nordeste, Corrientes 3400, Argentina.
André GrandUniversité Grenoble Alpes, Commissariat à l'Energie Atomique, Centre National de la Recherche Scientifique, Institute for Nanoscience and Cryogenics, Systèmes Moléculaires et NanoMatériaux pour l'Énergie et la Santé, F-38000 Grenoble, France.
Alfonso Hernández-LagunaInstituto Andaluz de Ciencias de la Tierra (IACT-CSIC), Consejo Superior de Investigaciones Científicas, Av. de las Palmeras 4, 18100 Armilla, Granada, Spain.

Funding

Junta de Andalucia P18-RT-3786Spanish MINECO FIS2016-77692-C2-2-P
6 · The paper itself

Abstract

Many properties of 2,4-dichlorophenoxyacetic acid (2,4-D) depend on its molecular environment, such as whether it is an isolated molecule, a dimer, or in a crystalline state. The molecular geometry, conformational analysis, and vibrational spectrum of 2,4-D were theoretically calculated using Density Functional Theory (DFT) methods. A new slightly more stable conformer was found, which is different to those previously reported. The most stable conformer shows a dimer by means of hydrogen bonds between the carboxylic groups of both molecules, which agrees with the experimental results. The crystal structure of 2,4-D was also calculated with 3D periodical boundary conditions at the DFT level. From the theoretical IR spectra, a vibrational analysis of this molecular species was accomplished, and the bands were reassigned.

Indexed as

2,4-dichlorophenoxyacetic acidcrystal structureDFTdimerhydrogen bondsintercalation in clay mineralsIR assignmentNMR

Identifiers

PMID39860241
PMCPMC11768003

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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.