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dc.contributor.authorMartín-Fernández, Carlos
dc.contributor.authorMontero-Campillo, M. Merced
dc.contributor.authorAlkorta, Ibon
dc.date.accessioned2024-05-10T14:30:06Z
dc.date.available2024-05-10T14:30:06Z
dc.date.issued2024-04-18
dc.identifier302033150
dc.identifier9a3bed31-f7f5-4bdf-8d09-2553b00ed5f1
dc.identifier85190892419
dc.identifier.citationMartín-Fernández , C , Montero-Campillo , M M & Alkorta , I 2024 , ' Hydrogen bonds are never of an “anti-electrostatic” nature : a brief tour of a misleading nomenclature ' , The Journal of Physical Chemistry Letters , vol. 15 , no. 15 , pp. 4105-4110 . https://doi.org/10.1021/acs.jpclett.4c00779en
dc.identifier.issn1948-7185
dc.identifier.otherRIS: urn:7060F5EE2CAD8B34E79CED55D29C310F
dc.identifier.urihttps://hdl.handle.net/10023/29862
dc.descriptionThis work was carried out with financial support from the Ministerio de Ciencia, Innovación y Universidades (projects PID2021-125207NB-C31 and PID2021-125207NB-C32).en
dc.description.abstractA large amount of scientific works have contributed through the years to rigorously reflect the different forces leading to the formation of hydrogen bonds, the electrostatic and polarization ones being the most important among them. However, we have witnessed lately with the emergence of a new terminology, anti-electrostatic hydrogen bonds (AEHBs), that seems to contradict this reality. This nomenclature is used in the literature to describe hydrogen bonds between equally charged systems to justify the existence of these species, despite numerous proofs showing that AEHBs are, as any other hydrogen bond between neutral species, mostly due to electrostatic forces. In this Viewpoint, we summarize the state of the art regarding this issue, try to explain why this terminology is very misleading, and strongly recommend avoiding its use based on the hydrogen bond physical grounds.
dc.format.extent6
dc.format.extent1680462
dc.language.isoeng
dc.relation.ispartofThe Journal of Physical Chemistry Lettersen
dc.subjectT-NDASen
dc.titleHydrogen bonds are never of an “anti-electrostatic” nature : a brief tour of a misleading nomenclatureen
dc.typeJournal articleen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.identifier.doi10.1021/acs.jpclett.4c00779
dc.description.statusPeer revieweden


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