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Testing the Effectiveness of the Isoelectronic Substitution Principle through the Transformation of Aromatic Osmathiophene Derivatives into their Inorganic Analogues

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

New Journal of Chemistry, 2017, vol. 41, núm. 3, p. 1168-1178

Royal Society of Chemistry (RSC)

Autor: Vásques-Espinal, A
Poater i Teixidor, Jordi
Solà i Puig, Miquel
Tiznado, William
Islas, Rafael
Data: 7 gener 2017
Resum: 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
Format: application/pdf
Cita: https://doi.org/10.1039/C6NJ02972H
ISSN: 1144-0546 (versió paper)
1369-9261 (versió electrònica)
Accés al document: http://hdl.handle.net/10256/13712
Llenguatge: eng
Editor: Royal Society of Chemistry (RSC)
Col·lecció: Versió postprint del document publicat a: https://doi.org/10.1039/C6NJ02972H
Articles publicats (D-Q)
És part de: New Journal of Chemistry, 2017, vol. 41, núm. 3, p. 1168-1178
Drets: Tots els drets reservats
Matèria: Aromaticitat (Química)
Aromaticity (Chemistry)
Títol: Testing the Effectiveness of the Isoelectronic Substitution Principle through the Transformation of Aromatic Osmathiophene Derivatives into their Inorganic Analogues
Tipus: info:eu-repo/semantics/article
Repositori: DUGiDocs

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