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Vásques-Espinal, A
Poater i Teixidor, Jordi Solà i Puig, Miquel Tiznado, William Islas, Rafael |
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| 2017 January 7 | |
| 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 | |
| application/pdf | |
| https://doi.org/10.1039/C6NJ02972H | |
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1144-0546 (versió paper) 1369-9261 (versió electrònica) |
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| http://hdl.handle.net/10256/13712 | |
| eng | |
| Royal Society of Chemistry (RSC) | |
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Versió postprint del document publicat a: https://doi.org/10.1039/C6NJ02972H Articles publicats (D-Q) |
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| New Journal of Chemistry, 2017, vol. 41, núm. 3, p. 1168-1178 | |
| Tots els drets reservats | |
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Aromaticitat (QuÃmica)
Aromaticity (Chemistry) |
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| Testing the Effectiveness of the Isoelectronic Substitution Principle through the Transformation of Aromatic Osmathiophene Derivatives into their Inorganic Analogues | |
| info:eu-repo/semantics/article | |
| DUGiDocs |
