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dc.contributor.author
Kumari, Dimple
dc.contributor.author
Saloni, null
dc.contributor.author
Tandon, Hiteshi
dc.contributor.author
Labarca, Martín Gabriel
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dc.contributor.author
Chakraborty, Tanmoy
dc.date.available
2023-06-21T13:31:59Z
dc.date.issued
2022-11
dc.identifier.citation
Kumari, Dimple; Saloni, null; Tandon, Hiteshi; Labarca, Martín Gabriel; Chakraborty, Tanmoy; An FSGO based Electronegativity Scale invoking Electrophilicity Index; Wiley-VCH; ChemistrySelect; 7; 44; 11-2022; 1-7
dc.identifier.issn
2365-6549
dc.identifier.uri
http://hdl.handle.net/11336/200954
dc.description.abstract
Electronegativity is an important chemical construct that plays a pivotal role to explain several chemical, biochemical and physicochemical phenomena. The study of this periodic descriptor is still considered an active domain of research, and a number of scientists are involved to propose different scales of electronegativity based on experimental findings and theoretical concepts. In this study, we have proposed a model to compute atomic electronegativity values of 103 elements based on the Floating Spherical Gaussian Orbital approach invoking the atomic electrophilicity index as a descriptor. The computed electronegativity scale observes the periodic trend and justifies many chemical phenomena. Molecular electronegativity values have also been computed using the computed atomic electronegativity data and utilized to justify the Electronegativity Equalization Principle. In order to validate our proposed model, internuclear bond distances for some molecules have been deduced in terms of our computed atomic electronegativity data. A strong correlation with experimental counterparts proves the efficacy of our proposed model.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Wiley-VCH
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dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
ELECTRONEGATIVITY
dc.subject
ELECTRONEGATIVITY EQUALIZATION PRINCIPLE
dc.subject
ELECTROPHILICITY INDEX
dc.subject
FSGO
dc.subject
INTERNUCLEAR BOND DISTANCE
dc.subject.classification
Química Inorgánica y Nuclear
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dc.subject.classification
Ciencias Químicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
An FSGO based Electronegativity Scale invoking Electrophilicity Index
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2023-06-16T12:57:47Z
dc.journal.volume
7
dc.journal.number
44
dc.journal.pagination
1-7
dc.journal.pais
Alemania
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dc.journal.ciudad
Weinheim
dc.description.fil
Fil: Kumari, Dimple. Sharda University; India
dc.description.fil
Fil: Saloni, null. Sharda University; India
dc.description.fil
Fil: Tandon, Hiteshi. Manipal University Jaipur; India
dc.description.fil
Fil: Labarca, Martín Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Buenos Aires. Facultad de Filosofía y Letras. Departamento de Filosofía; Argentina
dc.description.fil
Fil: Chakraborty, Tanmoy. Sharda University; India
dc.journal.title
ChemistrySelect
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/slct.202202238
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1002/slct.202202238
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