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 in | New journal of chemistry Vol. 41; no. 3; pp. 1168 - 1178 |
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Main Authors | , , , , |
Format | Journal Article |
Language | English |
Published |
Royal Society of Chemistry
07.02.2017
|
Subjects | |
Online Access | Get full text |
ISSN | 1144-0546 1369-9261 |
DOI | 10.1039/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 |
Author_xml | – sequence: 1 givenname: Alejandro surname: Vásquez-Espinal fullname: Vásquez-Espinal, Alejandro organization: Doctorado en Fisicoquímica Molecular, Facultad de Ciencias Exactas, Universidad Andres Bello, Santiago, Chile – sequence: 2 givenname: Jordi surname: Poater fullname: Poater, Jordi organization: Departament de Química Inorgànica i Orgànica & Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, Catalonia, Spain, ICREA – sequence: 3 givenname: Miquel orcidid: 0000-0002-1917-7450 surname: Solà fullname: Solà, Miquel organization: Institut de Química Computacional i Catàlisi (IQCC) and Departament de Química, Universitat de Girona, Catalonia, Spain – sequence: 4 givenname: William surname: Tiznado fullname: Tiznado, William organization: Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andres Bello, Santiago, Chile – sequence: 5 givenname: Rafael orcidid: 0000-0001-5655-107X surname: Islas fullname: Islas, Rafael organization: Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andres Bello, Santiago, Chile |
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CitedBy_id | crossref_primary_10_3390_chemistry3040080 crossref_primary_10_1021_acsomega_3c10049 crossref_primary_10_1039_D0CP01844A crossref_primary_10_1021_acs_organomet_2c00005 crossref_primary_10_1039_C8NJ00510A crossref_primary_10_1021_acsomega_1c02257 crossref_primary_10_1021_acs_chemrev_0c00062 crossref_primary_10_1021_acsomega_2c03865 |
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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 |
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