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 the isoelectronic substitution (IS) principle on a series of complexes with the general formula OsCl 2 (SX 3 H 3 )(PH 3 ) 2 , where X 3 represents the moieties CCC, CCB, CCN, CBN, CNB or NCB, formed by substitution of the carbon a...

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Published inNew journal of chemistry Vol. 41; no. 3; pp. 1168 - 1178
Main Authors Vásquez-Espinal, Alejandro, Poater, Jordi, Solà, Miquel, Tiznado, William, Islas, Rafael
Format Journal Article
LanguageEnglish
Published Royal Society of Chemistry 07.02.2017
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ISSN1144-0546
1369-9261
DOI10.1039/C6NJ02972H

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Abstract The objective of the current work is to evaluate the effectiveness of the isoelectronic substitution (IS) principle on a series of complexes with the general formula OsCl 2 (SX 3 H 3 )(PH 3 ) 2 , where X 3 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 SX 3 H 3 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 the magnetic (induced magnetic field ( B ind )) and electronic (through the multicenter index (MCI)) criteria. In addition a chemical bonding analysis on selected species is performed by the adaptive natural density partitioning (AdNDP) method.
AbstractList The objective of the current work is to evaluate the effectiveness of the isoelectronic substitution (IS) principle on a series of complexes with the general formula OsCl 2 (SX 3 H 3 )(PH 3 ) 2 , where X 3 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 SX 3 H 3 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 the magnetic (induced magnetic field ( B ind )) and electronic (through the multicenter index (MCI)) criteria. In addition a chemical bonding analysis on selected species is performed by the adaptive natural density partitioning (AdNDP) method.
The objective of the current work is to evaluate the effectiveness of the isoelectronic substitution (IS) principle on a series of complexes with the general formula OsCl2(SX3H3)(PH3)(2), where X-3 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 the magnetic (induced magnetic field (B-ind)) and electronic (through the multicenter index (MCI)) criteria. In addition a chemical bonding analysis on selected species is performed by the adaptive natural density partitioning (AdNDP) method.
Author Vásquez-Espinal, Alejandro
Tiznado, William
Poater, Jordi
Solà, Miquel
Islas, Rafael
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Snippet The objective of the current work is to evaluate the effectiveness of the isoelectronic substitution (IS) principle on a series of complexes with the general...
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Enrichment Source
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StartPage 1168
SubjectTerms Aromatic compounds
Compostos aromàtics
Compostos inorgànics
Inorganic compounds
Reaccions de substitució
Substitution reactions
Title Testing the effectiveness of the isoelectronic substitution principle through the transformation of aromatic osmathiophene derivatives into their inorganic analogues
URI https://recercat.cat/handle/2072/350238
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