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Title: Testing the effectiveness of the isoelectronic substitution principle through the transformation of aromatic osmathiophene derivatives into their inorganic analogues
Author: Vásquez Espinal, Alejandro
Poater i Teixidor, Jordi
Solà, Miquel
Tiznado, Willian
Islas, Rafael
Keywords: Reaccions de substitució
Compostos aromàtics
Compostos inorgànics
Substitution reactions
Aromatic compounds
Inorganic compounds
Issue Date: 7-Feb-2017
Publisher: Royal Society of Chemistry
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 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.
Note: Versió postprint del document publicat a:
It is part of: New Journal of Chemistry, 2017, vol. 41, num. 3, p. 1168-1178
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ISSN: 1144-0546
Appears in Collections:Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB))
Articles publicats en revistes (Química Inorgànica i Orgànica)

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