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Ru–NO and Ru–NO 2 bonding linkage isomerism in cis-[Ru(NO)(NO)(bpy) 2 ] 2+/+ complexes – a theoretical insight
Ruthenium nitrosyl complexes have received considerable attention due to the fact that they are able to store, transfer and release NO in a controlled manner. It is well-known that the NO reactivity of ruthenium nitrosyl complexes can be modulated with the judicious choice of equatorial and axial li...
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Published in: | Dalton transactions : an international journal of inorganic chemistry 2014, Vol.43 (23), p.8792-8804 |
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container_title | Dalton transactions : an international journal of inorganic chemistry |
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creator | Andriani, Karla Furtado Caramori, Giovanni Finoto Doro, Fábio Gorzoni Parreira, Renato Luis Tame |
description | Ruthenium nitrosyl complexes have received considerable attention due to the fact that they are able to store, transfer and release NO in a controlled manner. It is well-known that the NO reactivity of ruthenium nitrosyl complexes can be modulated with the judicious choice of equatorial and axial ligands. In this piece of research we elucidate the nature of the Ru–NO and Ru–NO
2
bonding in a
cis
-[Ru(NO)(NO
2
)(bpy)
2
]
2+
complex energy decomposition (Su–Li EDA) and topological (
e.g.
, QTAIM) and natural bond orbital analysis. It was observed that the strength of these bonds is directly correlated with the relative stability of isomers involved in nitro–nitrito and nitrosyl–isonitrosyl isomerism, as described previously by Coppens and Ooyama. |
doi_str_mv | 10.1039/C4DT00016A |
format | article |
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2
bonding in a
cis
-[Ru(NO)(NO
2
)(bpy)
2
]
2+
complex energy decomposition (Su–Li EDA) and topological (
e.g.
, QTAIM) and natural bond orbital analysis. It was observed that the strength of these bonds is directly correlated with the relative stability of isomers involved in nitro–nitrito and nitrosyl–isonitrosyl isomerism, as described previously by Coppens and Ooyama.</description><identifier>ISSN: 1477-9226</identifier><identifier>EISSN: 1477-9234</identifier><identifier>DOI: 10.1039/C4DT00016A</identifier><language>eng</language><ispartof>Dalton transactions : an international journal of inorganic chemistry, 2014, Vol.43 (23), p.8792-8804</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c76A-9ddeef7a5cd8aa4974ee05931c9b00bd9cadabf2a9dfdb2c11e507b57e7d1a5e3</citedby><cites>FETCH-LOGICAL-c76A-9ddeef7a5cd8aa4974ee05931c9b00bd9cadabf2a9dfdb2c11e507b57e7d1a5e3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,4024,27923,27924,27925</link.rule.ids></links><search><creatorcontrib>Andriani, Karla Furtado</creatorcontrib><creatorcontrib>Caramori, Giovanni Finoto</creatorcontrib><creatorcontrib>Doro, Fábio Gorzoni</creatorcontrib><creatorcontrib>Parreira, Renato Luis Tame</creatorcontrib><title>Ru–NO and Ru–NO 2 bonding linkage isomerism in cis-[Ru(NO)(NO)(bpy) 2 ] 2+/+ complexes – a theoretical insight</title><title>Dalton transactions : an international journal of inorganic chemistry</title><description>Ruthenium nitrosyl complexes have received considerable attention due to the fact that they are able to store, transfer and release NO in a controlled manner. It is well-known that the NO reactivity of ruthenium nitrosyl complexes can be modulated with the judicious choice of equatorial and axial ligands. In this piece of research we elucidate the nature of the Ru–NO and Ru–NO
2
bonding in a
cis
-[Ru(NO)(NO
2
)(bpy)
2
]
2+
complex energy decomposition (Su–Li EDA) and topological (
e.g.
, QTAIM) and natural bond orbital analysis. It was observed that the strength of these bonds is directly correlated with the relative stability of isomers involved in nitro–nitrito and nitrosyl–isonitrosyl isomerism, as described previously by Coppens and Ooyama.</description><issn>1477-9226</issn><issn>1477-9234</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2014</creationdate><recordtype>article</recordtype><recordid>eNpFkMtOAjEYhRujiYhufIIuRTLytzND7ZLgNSGQEHbGTP62_0B1LmQ6JLLzHXxDn0S8L07Otznf4jB2KuBCQKwH4-RqAQBiONpjHZEoFWkZJ_t_LIeH7CiEJwApIZUd1s43769v0xnHyvFfltzUlfPVkhe-esYlcR_qkhofSu4rbn2IHuabs-ms9xWz3vZ2m0cu-4M-t3W5LuiFAt_JOPJ2RXVDrbdY7MbBL1ftMTvIsQh08tNdtri5Xozvosns9n48mkRWDUeRdo4oV5had4mYaJUQQapjYbUBME5bdGhyidrlzkgrBKWgTKpIOYEpxV12_q21TR1CQ3m2bnyJzTYTkH3elf3fFX8AJQte3A</recordid><startdate>2014</startdate><enddate>2014</enddate><creator>Andriani, Karla Furtado</creator><creator>Caramori, Giovanni Finoto</creator><creator>Doro, Fábio Gorzoni</creator><creator>Parreira, Renato Luis Tame</creator><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>2014</creationdate><title>Ru–NO and Ru–NO 2 bonding linkage isomerism in cis-[Ru(NO)(NO)(bpy) 2 ] 2+/+ complexes – a theoretical insight</title><author>Andriani, Karla Furtado ; Caramori, Giovanni Finoto ; Doro, Fábio Gorzoni ; Parreira, Renato Luis Tame</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c76A-9ddeef7a5cd8aa4974ee05931c9b00bd9cadabf2a9dfdb2c11e507b57e7d1a5e3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2014</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Andriani, Karla Furtado</creatorcontrib><creatorcontrib>Caramori, Giovanni Finoto</creatorcontrib><creatorcontrib>Doro, Fábio Gorzoni</creatorcontrib><creatorcontrib>Parreira, Renato Luis Tame</creatorcontrib><collection>CrossRef</collection><jtitle>Dalton transactions : an international journal of inorganic chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Andriani, Karla Furtado</au><au>Caramori, Giovanni Finoto</au><au>Doro, Fábio Gorzoni</au><au>Parreira, Renato Luis Tame</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Ru–NO and Ru–NO 2 bonding linkage isomerism in cis-[Ru(NO)(NO)(bpy) 2 ] 2+/+ complexes – a theoretical insight</atitle><jtitle>Dalton transactions : an international journal of inorganic chemistry</jtitle><date>2014</date><risdate>2014</risdate><volume>43</volume><issue>23</issue><spage>8792</spage><epage>8804</epage><pages>8792-8804</pages><issn>1477-9226</issn><eissn>1477-9234</eissn><abstract>Ruthenium nitrosyl complexes have received considerable attention due to the fact that they are able to store, transfer and release NO in a controlled manner. It is well-known that the NO reactivity of ruthenium nitrosyl complexes can be modulated with the judicious choice of equatorial and axial ligands. In this piece of research we elucidate the nature of the Ru–NO and Ru–NO
2
bonding in a
cis
-[Ru(NO)(NO
2
)(bpy)
2
]
2+
complex energy decomposition (Su–Li EDA) and topological (
e.g.
, QTAIM) and natural bond orbital analysis. It was observed that the strength of these bonds is directly correlated with the relative stability of isomers involved in nitro–nitrito and nitrosyl–isonitrosyl isomerism, as described previously by Coppens and Ooyama.</abstract><doi>10.1039/C4DT00016A</doi><tpages>13</tpages></addata></record> |
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source | Royal Society of Chemistry |
title | Ru–NO and Ru–NO 2 bonding linkage isomerism in cis-[Ru(NO)(NO)(bpy) 2 ] 2+/+ complexes – a theoretical insight |
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