Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane: Synthesis, characterization, crystal structure, Hirshfeld surface and QTAIM Analysis of Ru3(CO)10(µ-dpppe)

Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane (dpppe) in THF induced by sodium benzophenone ketyl radical anion, resulted in the expected metal cluster [Ru3(CO)11]2(µ-dpppe) (1) and Ru3(CO)10(µ-dpppe) (2) as the main products. Clusters 1 and 2 were characterized by spectroscopic meth...

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Published in:	Journal of Molecular Structure
Main Author:	Sirat S.S.; Rosli M.M.; Arshad S.; Al‐Ibadi M.A.M.; Hassan A.H.; Yusof E.N.M.; Shawkataly O.B.
Format:	Article
Language:	English
Published:	Elsevier B.V. 2025
Online Access:	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85204905588&doi=10.1016%2fj.molstruc.2024.140158&partnerID=40&md5=da1c4a812c057726c8c875b742fb4dcb

id	2-s2.0-85204905588
spelling	2-s2.0-85204905588 Sirat S.S.; Rosli M.M.; Arshad S.; Al‐Ibadi M.A.M.; Hassan A.H.; Yusof E.N.M.; Shawkataly O.B. Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane: Synthesis, characterization, crystal structure, Hirshfeld surface and QTAIM Analysis of Ru3(CO)10(µ-dpppe) 2025 Journal of Molecular Structure 1321 10.1016/j.molstruc.2024.140158 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85204905588&doi=10.1016%2fj.molstruc.2024.140158&partnerID=40&md5=da1c4a812c057726c8c875b742fb4dcb Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane (dpppe) in THF induced by sodium benzophenone ketyl radical anion, resulted in the expected metal cluster [Ru3(CO)11]2(µ-dpppe) (1) and Ru3(CO)10(µ-dpppe) (2) as the main products. Clusters 1 and 2 were characterized by spectroscopic methods, including Fourier-transform infrared spectroscopy (FTIR) and nuclear magnetic resonance spectroscopy (1H and 31P{1H} NMR).The structural features were determined using single crystal X-ray diffraction analysis. In cluster 1 and 2, the (dpppe) links two trinuclear cluster units via phosphine moieties and bridges to Ru–Ru bond, respectively. Both clusters were stabilized by the presence of C–H⋯O interactions and were further analyzed by Hirshfeld surface analysis. The bonding interactions within cluster 2 were studied using the Quantum Theory of Atoms in Molecules (QTAIM). Various local and integral topological properties of the electron density were calculated, along with the source function (SF) calculations and electron localization function (ELF) analysis. © 2024 Elsevier B.V. 00222860 English Article
author	Sirat S.S.; Rosli M.M.; Arshad S.; Al‐Ibadi M.A.M.; Hassan A.H.; Yusof E.N.M.; Shawkataly O.B.
spellingShingle	Sirat S.S.; Rosli M.M.; Arshad S.; Al‐Ibadi M.A.M.; Hassan A.H.; Yusof E.N.M.; Shawkataly O.B. Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane: Synthesis, characterization, crystal structure, Hirshfeld surface and QTAIM Analysis of Ru3(CO)10(µ-dpppe)
author_facet	Sirat S.S.; Rosli M.M.; Arshad S.; Al‐Ibadi M.A.M.; Hassan A.H.; Yusof E.N.M.; Shawkataly O.B.
author_sort	Sirat S.S.; Rosli M.M.; Arshad S.; Al‐Ibadi M.A.M.; Hassan A.H.; Yusof E.N.M.; Shawkataly O.B.
title	Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane: Synthesis, characterization, crystal structure, Hirshfeld surface and QTAIM Analysis of Ru3(CO)10(µ-dpppe)
title_short	Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane: Synthesis, characterization, crystal structure, Hirshfeld surface and QTAIM Analysis of Ru3(CO)10(µ-dpppe)
title_full	Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane: Synthesis, characterization, crystal structure, Hirshfeld surface and QTAIM Analysis of Ru3(CO)10(µ-dpppe)
title_fullStr	Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane: Synthesis, characterization, crystal structure, Hirshfeld surface and QTAIM Analysis of Ru3(CO)10(µ-dpppe)
title_full_unstemmed	Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane: Synthesis, characterization, crystal structure, Hirshfeld surface and QTAIM Analysis of Ru3(CO)10(µ-dpppe)
title_sort	Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane: Synthesis, characterization, crystal structure, Hirshfeld surface and QTAIM Analysis of Ru3(CO)10(µ-dpppe)
publishDate	2025
container_title	Journal of Molecular Structure
container_volume	1321
container_issue
doi_str_mv	10.1016/j.molstruc.2024.140158
url	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85204905588&doi=10.1016%2fj.molstruc.2024.140158&partnerID=40&md5=da1c4a812c057726c8c875b742fb4dcb
description	Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane (dpppe) in THF induced by sodium benzophenone ketyl radical anion, resulted in the expected metal cluster [Ru3(CO)11]2(µ-dpppe) (1) and Ru3(CO)10(µ-dpppe) (2) as the main products. Clusters 1 and 2 were characterized by spectroscopic methods, including Fourier-transform infrared spectroscopy (FTIR) and nuclear magnetic resonance spectroscopy (1H and 31P{1H} NMR).The structural features were determined using single crystal X-ray diffraction analysis. In cluster 1 and 2, the (dpppe) links two trinuclear cluster units via phosphine moieties and bridges to Ru–Ru bond, respectively. Both clusters were stabilized by the presence of C–H⋯O interactions and were further analyzed by Hirshfeld surface analysis. The bonding interactions within cluster 2 were studied using the Quantum Theory of Atoms in Molecules (QTAIM). Various local and integral topological properties of the electron density were calculated, along with the source function (SF) calculations and electron localization function (ELF) analysis. © 2024
publisher	Elsevier B.V.
issn	00222860
language	English
format	Article
accesstype
record_format	scopus
collection	Scopus
_version_	1814778497336344576

Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane: Synthesis, characterization, crystal structure, Hirshfeld surface and QTAIM Analysis of Ru3(CO)10(µ-dpppe)

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