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Analysis of institutional authors

Yanez MAuthorMo OAuthor

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Lewis basicity of alkyl carbonates and other esters. The Gutmann Donor Number (DN), a flawed indicator? Boron trifluoride adduct-formation enthalpy, experimentally or computationally determined, as a reliable alternative

Publicated to:JOURNAL OF MOLECULAR LIQUIDS. 370 e120997- - 2023-01-15 370(), DOI: 10.1016/j.molliq.2022.120997

Authors: Gal, Jean-Francois; Maria, Pierre-Charles; Yanez, Manuel; Mo, Otilia

Affiliations

Campus de Excelencia Internacional UAM+CSIC - Author
Univ Autonoma Madrid, Fac Ciencias, Dept Quim, Modulo 13,Campus Excelencia UAM CSIC, Madrid 28049, Spain - Author
Univ Autonoma Madrid, Inst Adv Chem Sci IAdChem, Modulo 13,Campus Excelencia UAM CSIC, Madrid 28049, Spain - Author
Univ Cote dAzur, Inst Chim Nice, CNRS, UMR 7272, F-06108 Nice, France - Author
Université Côte d'Azur - Author
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Abstract

Alkyl carbonates are essential components in the manufacture of lithium-ion batteries, as electrolytes or additives. The Lewis basicity of alkyl carbonates and other carbonyl compounds used in electrochemistry are often characterized by their Donor Number (DN). Assessment of the literature DN values displays great discrepancies. This is attributed in part to experimental errors, but mostly to inconsistent methods of determination. An alternative Lewis basicity scale is proposed, based on the enthalpy of adduct formation of a Lewis base with BF3 in dichloromethane solvent -ΔH(BF3). Experimental data are well reproduced by a modified ab initio G4 method and a mixed cluster-continuum approach of solvation. These calculations permit a confident estimation of previously not measured -ΔH(BF3) values. The combination of a large set of experimental data and of calculations provides a consistent source of Lewis basicity of molecules used in electrochemistry and related fields.

Keywords

ab initio calculationsboron trifluoridedonor numberelectrolytesenthalpylewis basicitylithiumparameterspropylene carbonateredox behaviorscalesolventstrengthsAb initio calculationsAlkyl carbonatesAntimony pentachlorideBoron trifluorideDonor numberElectrolytesEnthalpyLewis basicity

Quality index

Bibliometric impact. Analysis of the contribution and dissemination channel

The work has been published in the journal JOURNAL OF MOLECULAR LIQUIDS due to its progression and the good impact it has achieved in recent years, according to the agency WoS (JCR), it has become a reference in its field. In the year of publication of the work, 2023, it was in position 6/40, thus managing to position itself as a Q1 (Primer Cuartil), in the category Physics, Atomic, Molecular & Chemical.

From a relative perspective, and based on the normalized impact indicator calculated from the Field Citation Ratio (FCR) of the Dimensions source, it yields a value of: 1.52, which indicates that, compared to works in the same discipline and in the same year of publication, it ranks as a work cited above average. (source consulted: Dimensions Jun 2025)

Specifically, and according to different indexing agencies, this work has accumulated citations as of 2025-06-12, the following number of citations:

  • WoS: 3
  • Scopus: 4
  • OpenCitations: 3

Impact and social visibility

From the perspective of influence or social adoption, and based on metrics associated with mentions and interactions provided by agencies specializing in calculating the so-called "Alternative or Social Metrics," we can highlight as of 2025-06-12:

  • The use, from an academic perspective evidenced by the Altmetric agency indicator referring to aggregations made by the personal bibliographic manager Mendeley, gives us a total of: 5.
  • The use of this contribution in bookmarks, code forks, additions to favorite lists for recurrent reading, as well as general views, indicates that someone is using the publication as a basis for their current work. This may be a notable indicator of future more formal and academic citations. This claim is supported by the result of the "Capture" indicator, which yields a total of: 5 (PlumX).

With a more dissemination-oriented intent and targeting more general audiences, we can observe other more global scores such as:

  • The Total Score from Altmetric: 0.75.
  • The number of mentions on the social network X (formerly Twitter): 2 (Altmetric).

It is essential to present evidence supporting full alignment with institutional principles and guidelines on Open Science and the Conservation and Dissemination of Intellectual Heritage. A clear example of this is:

  • The work has been submitted to a journal whose editorial policy allows open Open Access publication.

Leadership analysis of institutional authors

This work has been carried out with international collaboration, specifically with researchers from: France.

There is a significant leadership presence as some of the institution’s authors appear as the first or last signer, detailed as follows: Last Author (MO ROMERO, OTILIA).