Evidence map›Paper›PMID 33066679›Full record

ArticleMolecules (Basel, Switzerland)2020

Inter- vs. Intramolecular Hydrogen Bond Patterns and Proton Dynamics in Nitrophthalic Acid Associates.

Kinga Jóźwiak, Aneta Jezierska, Jarosław J Panek, Eugene A Goremychkin, Peter M Tolstoy, Ilya G Shenderovich, Aleksander Filarowski

Abstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.

0numbers the graph read from it
0cells of the map it votes in
9citing 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

9 citing papers in PubMed.

  1. Very Strong Hydrogen Bond in Nitrophthalic Cocrystals.Molecules (Basel, Switzerland) · 2024
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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.

Kinga JóźwiakFaculty of Chemistry, University of Wrocław 14 F. Joliot-Curie str., 50-383 Wrocław, Poland.ORCID 0000-0002-1134-3186
Aneta JezierskaFaculty of Chemistry, University of Wrocław 14 F. Joliot-Curie str., 50-383 Wrocław, Poland.ORCID 0000-0001-6601-9124
Jarosław J PanekFaculty of Chemistry, University of Wrocław 14 F. Joliot-Curie str., 50-383 Wrocław, Poland.ORCID 0000-0002-2952-9739
Eugene A GoremychkinFrank Laboratory of Neutron Physics, Joint Institute for Nuclear Research 6 F. Joliot-Curie str., 141980 Dubna, Russia.
Peter M TolstoyInstitute of Chemistry, St. Petersburg State University, Universitetskij pr. 26, 198504 St. Petersburg, Russia.ORCID 0000-0002-8426-3988
Ilya G ShenderovichInstitute of Organic Chemistry, University of Regensburg, Universitaetstrasse 31, 93053 Regensburg, Germany.ORCID 0000-0001-6713-9080
Aleksander FilarowskiFaculty of Chemistry, University of Wrocław 14 F. Joliot-Curie str., 50-383 Wrocław, Poland.

Funding

Polish Government Plenipotentiary for JINR in Dubna 75/24/2020; p. 75; data 03.02.2020Russian Foundation for Basic Research 18-13-00050
6 · The paper itself

Abstract

Noncovalent interactions are among the main tools of molecular engineering. Rational molecular design requires knowledge about a result of interplay between given structural moieties within a given phase state. We herein report a study of intra- and intermolecular interactions of 3-nitrophthalic and 4-nitrophthalic acids in the gas, liquid, and solid phases. A combination of the Infrared, Raman, Nuclear Magnetic Resonance, and Incoherent Inelastic Neutron Scattering spectroscopies and the Car-Parrinello Molecular Dynamics and Density Functional Theory calculations was used. This integrated approach made it possible to assess the balance of repulsive and attractive intramolecular interactions between adjacent carboxyl groups as well as to study the dependence of this balance on steric confinement and the effect of this balance on intermolecular interactions of the carboxyl groups.

Indexed as

Density Functional TheoryHydrogen BondingMagnetic Resonance SpectroscopyMolecular Dynamics SimulationNitro CompoundsPhthalic AcidsProtonsSpectrum Analysis, RamanNitro CompoundsPhthalic AcidsProtonscarboxyl groupCPMDDFTIINSIRNMRproton dynamicsRaman

Identifiers

PMID33066679
PMCPMC7587347

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.