Testing the Effectiveness of the Isoelectronic Substitution Principle through the Transformation of Aromatic Osmathiophene Derivatives into their Inorganic Analogues
dc.contributor.author
dc.date.accessioned
2017-03-07T12:58:23Z
dc.date.available
2017-03-07T12:58:23Z
dc.date.issued
2016-12-15
dc.identifier.issn
1144-0546
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dc.description.abstract
The objective of the current work is to evaluate the effectiveness of isoelectronic substitution (IS) principle on a series of complexes with general formula OsCl2(SX3H3)(PH3)2, where X3 represents the moieties CCC, CCB, CCN, CBN, CNB or NCB, formed by substitution of the carbon atoms in CCC by either the isoelectronic B- or N+ separately, or by both. The SX3H3 moiety forms, together with Os, an aromatic five-membered ring (5-MR) called osmathiophene. The preservation of stability and aromaticity in the resulting systems is used to indicate the effectiveness of the IS principle. The aromaticity of the proposed molecules is analyzed according to magnetic (induced magnetic field (Bind)) and electronic (through the multicenter index (MCI)) criteria. Besides, a chemical bonding analysis on selected species is performed by the adaptive natural density partitioning (AdNDP) method
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11 p.
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application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry (RSC)
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Versió postprint del document publicat a: https://doi.org/10.1039/C6NJ02972H
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New Journal of Chemistry, 2017, vol. 41, núm. 3, p. 1168-1178
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Articles publicats (D-Q)
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Tots els drets reservats
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Vásques-Espinal, A Poater i Teixidor, Jordi Solà i Puig, Miquel Tiznado, William Islas, Rafael 2017 Testing the Effectiveness of the Isoelectronic Substitution Principle through the Transformation of Aromatic Osmathiophene Derivatives into their Inorganic Analogues New Journal of Chemistry 41 3 1168 1178
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dc.title
Testing the Effectiveness of the Isoelectronic Substitution Principle through the Transformation of Aromatic Osmathiophene Derivatives into their Inorganic Analogues
dc.type
info:eu-repo/semantics/article
dc.rights.accessRights
info:eu-repo/semantics/openAccess
dc.type.version
info:eu-repo/semantics/acceptedVersion
dc.identifier.doi
dc.identifier.idgrec
026490
dc.identifier.eissn
1369-9261