A family of edge-sharing bi-octahedral diruthenium(,) compounds containing Ru-Ru single bonds
From paddlewheel starting reactants Ru 2 (R′CO 2 ) 4 + , a family of edge-sharing bi-octahedral (ESBO) diruthenium( iii , iii ) compounds has been prepared, formulated as Ru 2 (μ-O 2 CR′) 2 (μ-OR) 2 (η-L) 2 ( 1-10 ) [R′ = CH 3 , R = CH 3 , L = acac ( 1 ), tfac ( 2 ); R′ = CH 3 , R = CH 2 CH 3 , L =...
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| Veröffentlicht in: | Dalton transactions : an international journal of inorganic chemistry 2023-07, Vol.52 (29), p.199-118 |
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| creator | Guo, Li-Xiang Gao, Yao Zhang, Pei Yang, Jian-Hui Liu, Bin |
| description | From paddlewheel starting reactants Ru
2
(R′CO
2
)
4
+
, a family of edge-sharing bi-octahedral (ESBO) diruthenium(
iii
,
iii
) compounds has been prepared, formulated as Ru
2
(μ-O
2
CR′)
2
(μ-OR)
2
(η-L)
2
(
1-10
) [R′ = CH
3
, R = CH
3
, L = acac (
1
), tfac (
2
); R′ = CH
3
, R = CH
2
CH
3
, L = hfac (
3
); R′ = CH
2
CH
3
, R = CH
3
, L = acac (
4
), tfac (
5
); R′ = CH
2
CH
3
, R = CH
2
CH
3
, L = hfac (
6
); R′ = CH
2
Cl, R = CH
3
, L = tfac (
7
); R′ = CH
2
Cl, R = CH
2
CH
3
, L = hfac (
8
); R′ = C
6
H
5
, R = CH
3
, L = tfac (
9
); and R′ = H, R = CH
3
, L = acac (
10
); here, acac, tfac and hfac represent acetylacetone, trifluoroacetylacetone and hexafluoroacetylacetone, respectively]. Compounds
1-10
have a similar ESBO coordination geometry of the Ru(μ-O
2
CR′)
2
(μ-OR)
2
Ru core with a Ru-Ru center chelated and bridged by two μ-O
2
CR′ and two μ-OR in a
trans
manner, and each Ru center is also coordinated with a η
2
-L bidentate ligand. The Ru-Ru distances fall in the range of 2.4560(9)-2.4771(4) Å. The investigation of the electronic spectra and vibrational frequencies as well as theoretical studies with density functional theory (DFT) reveal that compounds
1-10
are ESBO bimetallic species of d
5
-d
5
valence electron counts showing a σ
2
π
2
δ
2
δ*
2
π*
2
electronic configuration. Varying -CH
3
to -CF
3
groups on the η
2
-L bidentate ligands coordinating to the Ru(μ-O
2
CR′)
2
(μ-OR)
2
Ru core, and according to Raman spectrum measurements combined with theoretical calculations, the intense bands of compounds
1-10
appearing at ∼345 cm
−1
in the small-wavenumber region can be assigned to the stretching of the Ru-Ru single bond.
Structural, spectroscopic and theoretical calculation of a family of ESBO diruthenium compounds formulated as Ru
2
(μ-O
2
CR′)
2
(μ-OR)
2
(η-L)
2
(
1-10
). |
| doi_str_mv | 10.1039/d3dt01302b |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_pubme</sourceid><recordid>TN_cdi_pubmed_primary_37427499</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2841880745</sourcerecordid><originalsourceid>FETCH-LOGICAL-c337t-e3f33f252f041ce8e6c7d9b503638b7839fb32b56310d7ee8fd4236b9ab340423</originalsourceid><addsrcrecordid>eNpd0c1LwzAYBvAgih_Ti3el4GWK1TRv2rRHdX7BQBjzKCVpEldpm5k0h_33Zh9O8JQH3l9ewhOEThN8k2AobiXIHieAidhBhwllLC4I0N1tJtkBOnLuC2NCcEr20QEwShgtikP0cRdp3tbNIjI6UvJTxW7Gbd19RqKOTdXzmZKWN5Gsre9nqqt9O7y-jCrTzo3vpAup63ndLW9MfDzxkQuxUZEwYXqM9jRvnDrZnAP0_vQ4fXiJx2_Prw9347gCYH2sQANokhKNaVKpXGUVk4VIMWSQC5ZDoQUQkWaQYMmUyrWkBDJRcAEUhzhAw_XeuTXfXrm-bGtXqabhnTLelSSnSZ5jRtNAL_7RL-NtF163UpRmLGdBXa1VZY1zVulybuuW20WZ4HJZejmC0XRV-n3A55uVXrRKbulvywGcrYF11Xb692vwAzQihOE</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2841446787</pqid></control><display><type>article</type><title>A family of edge-sharing bi-octahedral diruthenium(,) compounds containing Ru-Ru single bonds</title><source>Royal Society Of Chemistry Journals 2008-</source><source>Alma/SFX Local Collection</source><creator>Guo, Li-Xiang ; Gao, Yao ; Zhang, Pei ; Yang, Jian-Hui ; Liu, Bin</creator><creatorcontrib>Guo, Li-Xiang ; Gao, Yao ; Zhang, Pei ; Yang, Jian-Hui ; Liu, Bin</creatorcontrib><description>From paddlewheel starting reactants Ru
2
(R′CO
2
)
4
+
, a family of edge-sharing bi-octahedral (ESBO) diruthenium(
iii
,
iii
) compounds has been prepared, formulated as Ru
2
(μ-O
2
CR′)
2
(μ-OR)
2
(η-L)
2
(
1-10
) [R′ = CH
3
, R = CH
3
, L = acac (
1
), tfac (
2
); R′ = CH
3
, R = CH
2
CH
3
, L = hfac (
3
); R′ = CH
2
CH
3
, R = CH
3
, L = acac (
4
), tfac (
5
); R′ = CH
2
CH
3
, R = CH
2
CH
3
, L = hfac (
6
); R′ = CH
2
Cl, R = CH
3
, L = tfac (
7
); R′ = CH
2
Cl, R = CH
2
CH
3
, L = hfac (
8
); R′ = C
6
H
5
, R = CH
3
, L = tfac (
9
); and R′ = H, R = CH
3
, L = acac (
10
); here, acac, tfac and hfac represent acetylacetone, trifluoroacetylacetone and hexafluoroacetylacetone, respectively]. Compounds
1-10
have a similar ESBO coordination geometry of the Ru(μ-O
2
CR′)
2
(μ-OR)
2
Ru core with a Ru-Ru center chelated and bridged by two μ-O
2
CR′ and two μ-OR in a
trans
manner, and each Ru center is also coordinated with a η
2
-L bidentate ligand. The Ru-Ru distances fall in the range of 2.4560(9)-2.4771(4) Å. The investigation of the electronic spectra and vibrational frequencies as well as theoretical studies with density functional theory (DFT) reveal that compounds
1-10
are ESBO bimetallic species of d
5
-d
5
valence electron counts showing a σ
2
π
2
δ
2
δ*
2
π*
2
electronic configuration. Varying -CH
3
to -CF
3
groups on the η
2
-L bidentate ligands coordinating to the Ru(μ-O
2
CR′)
2
(μ-OR)
2
Ru core, and according to Raman spectrum measurements combined with theoretical calculations, the intense bands of compounds
1-10
appearing at ∼345 cm
−1
in the small-wavenumber region can be assigned to the stretching of the Ru-Ru single bond.
Structural, spectroscopic and theoretical calculation of a family of ESBO diruthenium compounds formulated as Ru
2
(μ-O
2
CR′)
2
(μ-OR)
2
(η-L)
2
(
1-10
).</description><identifier>ISSN: 1477-9226</identifier><identifier>EISSN: 1477-9234</identifier><identifier>DOI: 10.1039/d3dt01302b</identifier><identifier>PMID: 37427499</identifier><language>eng</language><publisher>England: Royal Society of Chemistry</publisher><subject>Acetylacetone ; Band theory ; Bimetals ; Chemical bonds ; Density functional theory ; Electronic spectra ; Electrons ; Ligands ; Wavelengths</subject><ispartof>Dalton transactions : an international journal of inorganic chemistry, 2023-07, Vol.52 (29), p.199-118</ispartof><rights>Copyright Royal Society of Chemistry 2023</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c337t-e3f33f252f041ce8e6c7d9b503638b7839fb32b56310d7ee8fd4236b9ab340423</citedby><cites>FETCH-LOGICAL-c337t-e3f33f252f041ce8e6c7d9b503638b7839fb32b56310d7ee8fd4236b9ab340423</cites><orcidid>0000-0001-6485-7669 ; 0000-0002-4328-0845 ; 0009-0001-2216-7907</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,27903,27904</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/37427499$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Guo, Li-Xiang</creatorcontrib><creatorcontrib>Gao, Yao</creatorcontrib><creatorcontrib>Zhang, Pei</creatorcontrib><creatorcontrib>Yang, Jian-Hui</creatorcontrib><creatorcontrib>Liu, Bin</creatorcontrib><title>A family of edge-sharing bi-octahedral diruthenium(,) compounds containing Ru-Ru single bonds</title><title>Dalton transactions : an international journal of inorganic chemistry</title><addtitle>Dalton Trans</addtitle><description>From paddlewheel starting reactants Ru
2
(R′CO
2
)
4
+
, a family of edge-sharing bi-octahedral (ESBO) diruthenium(
iii
,
iii
) compounds has been prepared, formulated as Ru
2
(μ-O
2
CR′)
2
(μ-OR)
2
(η-L)
2
(
1-10
) [R′ = CH
3
, R = CH
3
, L = acac (
1
), tfac (
2
); R′ = CH
3
, R = CH
2
CH
3
, L = hfac (
3
); R′ = CH
2
CH
3
, R = CH
3
, L = acac (
4
), tfac (
5
); R′ = CH
2
CH
3
, R = CH
2
CH
3
, L = hfac (
6
); R′ = CH
2
Cl, R = CH
3
, L = tfac (
7
); R′ = CH
2
Cl, R = CH
2
CH
3
, L = hfac (
8
); R′ = C
6
H
5
, R = CH
3
, L = tfac (
9
); and R′ = H, R = CH
3
, L = acac (
10
); here, acac, tfac and hfac represent acetylacetone, trifluoroacetylacetone and hexafluoroacetylacetone, respectively]. Compounds
1-10
have a similar ESBO coordination geometry of the Ru(μ-O
2
CR′)
2
(μ-OR)
2
Ru core with a Ru-Ru center chelated and bridged by two μ-O
2
CR′ and two μ-OR in a
trans
manner, and each Ru center is also coordinated with a η
2
-L bidentate ligand. The Ru-Ru distances fall in the range of 2.4560(9)-2.4771(4) Å. The investigation of the electronic spectra and vibrational frequencies as well as theoretical studies with density functional theory (DFT) reveal that compounds
1-10
are ESBO bimetallic species of d
5
-d
5
valence electron counts showing a σ
2
π
2
δ
2
δ*
2
π*
2
electronic configuration. Varying -CH
3
to -CF
3
groups on the η
2
-L bidentate ligands coordinating to the Ru(μ-O
2
CR′)
2
(μ-OR)
2
Ru core, and according to Raman spectrum measurements combined with theoretical calculations, the intense bands of compounds
1-10
appearing at ∼345 cm
−1
in the small-wavenumber region can be assigned to the stretching of the Ru-Ru single bond.
Structural, spectroscopic and theoretical calculation of a family of ESBO diruthenium compounds formulated as Ru
2
(μ-O
2
CR′)
2
(μ-OR)
2
(η-L)
2
(
1-10
).</description><subject>Acetylacetone</subject><subject>Band theory</subject><subject>Bimetals</subject><subject>Chemical bonds</subject><subject>Density functional theory</subject><subject>Electronic spectra</subject><subject>Electrons</subject><subject>Ligands</subject><subject>Wavelengths</subject><issn>1477-9226</issn><issn>1477-9234</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNpd0c1LwzAYBvAgih_Ti3el4GWK1TRv2rRHdX7BQBjzKCVpEldpm5k0h_33Zh9O8JQH3l9ewhOEThN8k2AobiXIHieAidhBhwllLC4I0N1tJtkBOnLuC2NCcEr20QEwShgtikP0cRdp3tbNIjI6UvJTxW7Gbd19RqKOTdXzmZKWN5Gsre9nqqt9O7y-jCrTzo3vpAup63ndLW9MfDzxkQuxUZEwYXqM9jRvnDrZnAP0_vQ4fXiJx2_Prw9347gCYH2sQANokhKNaVKpXGUVk4VIMWSQC5ZDoQUQkWaQYMmUyrWkBDJRcAEUhzhAw_XeuTXfXrm-bGtXqabhnTLelSSnSZ5jRtNAL_7RL-NtF163UpRmLGdBXa1VZY1zVulybuuW20WZ4HJZejmC0XRV-n3A55uVXrRKbulvywGcrYF11Xb692vwAzQihOE</recordid><startdate>20230725</startdate><enddate>20230725</enddate><creator>Guo, Li-Xiang</creator><creator>Gao, Yao</creator><creator>Zhang, Pei</creator><creator>Yang, Jian-Hui</creator><creator>Liu, Bin</creator><general>Royal Society of Chemistry</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0001-6485-7669</orcidid><orcidid>https://orcid.org/0000-0002-4328-0845</orcidid><orcidid>https://orcid.org/0009-0001-2216-7907</orcidid></search><sort><creationdate>20230725</creationdate><title>A family of edge-sharing bi-octahedral diruthenium(,) compounds containing Ru-Ru single bonds</title><author>Guo, Li-Xiang ; Gao, Yao ; Zhang, Pei ; Yang, Jian-Hui ; Liu, Bin</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c337t-e3f33f252f041ce8e6c7d9b503638b7839fb32b56310d7ee8fd4236b9ab340423</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Acetylacetone</topic><topic>Band theory</topic><topic>Bimetals</topic><topic>Chemical bonds</topic><topic>Density functional theory</topic><topic>Electronic spectra</topic><topic>Electrons</topic><topic>Ligands</topic><topic>Wavelengths</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Guo, Li-Xiang</creatorcontrib><creatorcontrib>Gao, Yao</creatorcontrib><creatorcontrib>Zhang, Pei</creatorcontrib><creatorcontrib>Yang, Jian-Hui</creatorcontrib><creatorcontrib>Liu, Bin</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>Dalton transactions : an international journal of inorganic chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Guo, Li-Xiang</au><au>Gao, Yao</au><au>Zhang, Pei</au><au>Yang, Jian-Hui</au><au>Liu, Bin</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>A family of edge-sharing bi-octahedral diruthenium(,) compounds containing Ru-Ru single bonds</atitle><jtitle>Dalton transactions : an international journal of inorganic chemistry</jtitle><addtitle>Dalton Trans</addtitle><date>2023-07-25</date><risdate>2023</risdate><volume>52</volume><issue>29</issue><spage>199</spage><epage>118</epage><pages>199-118</pages><issn>1477-9226</issn><eissn>1477-9234</eissn><abstract>From paddlewheel starting reactants Ru
2
(R′CO
2
)
4
+
, a family of edge-sharing bi-octahedral (ESBO) diruthenium(
iii
,
iii
) compounds has been prepared, formulated as Ru
2
(μ-O
2
CR′)
2
(μ-OR)
2
(η-L)
2
(
1-10
) [R′ = CH
3
, R = CH
3
, L = acac (
1
), tfac (
2
); R′ = CH
3
, R = CH
2
CH
3
, L = hfac (
3
); R′ = CH
2
CH
3
, R = CH
3
, L = acac (
4
), tfac (
5
); R′ = CH
2
CH
3
, R = CH
2
CH
3
, L = hfac (
6
); R′ = CH
2
Cl, R = CH
3
, L = tfac (
7
); R′ = CH
2
Cl, R = CH
2
CH
3
, L = hfac (
8
); R′ = C
6
H
5
, R = CH
3
, L = tfac (
9
); and R′ = H, R = CH
3
, L = acac (
10
); here, acac, tfac and hfac represent acetylacetone, trifluoroacetylacetone and hexafluoroacetylacetone, respectively]. Compounds
1-10
have a similar ESBO coordination geometry of the Ru(μ-O
2
CR′)
2
(μ-OR)
2
Ru core with a Ru-Ru center chelated and bridged by two μ-O
2
CR′ and two μ-OR in a
trans
manner, and each Ru center is also coordinated with a η
2
-L bidentate ligand. The Ru-Ru distances fall in the range of 2.4560(9)-2.4771(4) Å. The investigation of the electronic spectra and vibrational frequencies as well as theoretical studies with density functional theory (DFT) reveal that compounds
1-10
are ESBO bimetallic species of d
5
-d
5
valence electron counts showing a σ
2
π
2
δ
2
δ*
2
π*
2
electronic configuration. Varying -CH
3
to -CF
3
groups on the η
2
-L bidentate ligands coordinating to the Ru(μ-O
2
CR′)
2
(μ-OR)
2
Ru core, and according to Raman spectrum measurements combined with theoretical calculations, the intense bands of compounds
1-10
appearing at ∼345 cm
−1
in the small-wavenumber region can be assigned to the stretching of the Ru-Ru single bond.
Structural, spectroscopic and theoretical calculation of a family of ESBO diruthenium compounds formulated as Ru
2
(μ-O
2
CR′)
2
(μ-OR)
2
(η-L)
2
(
1-10
).</abstract><cop>England</cop><pub>Royal Society of Chemistry</pub><pmid>37427499</pmid><doi>10.1039/d3dt01302b</doi><tpages>1</tpages><orcidid>https://orcid.org/0000-0001-6485-7669</orcidid><orcidid>https://orcid.org/0000-0002-4328-0845</orcidid><orcidid>https://orcid.org/0009-0001-2216-7907</orcidid></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 1477-9226 |
| ispartof | Dalton transactions : an international journal of inorganic chemistry, 2023-07, Vol.52 (29), p.199-118 |
| issn | 1477-9226 1477-9234 |
| language | eng |
| recordid | cdi_pubmed_primary_37427499 |
| source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| subjects | Acetylacetone Band theory Bimetals Chemical bonds Density functional theory Electronic spectra Electrons Ligands Wavelengths |
| title | A family of edge-sharing bi-octahedral diruthenium(,) compounds containing Ru-Ru single bonds |
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