Revisiting the Reaction of Ru3(CO)12 with Ph2PCH2CH2PPh2: Synthesis, Crystal Structure, and DFT Study of Ru3(CO)8(µPh2PCH2CH2PPh2)2
The reaction between Ru3(CO)12 and 1,2-bis(diphenylphosphino)ethane (dppe/ Ph2PCH2CH2PPh2) with the presence of sodium benzophenone ketyl radical anion in tetrahydrofuran resulted in the formation of the expected metal cluster Ru3(CO)8(µ-Ph2PCH2CH2PPh2)2. The compound was completely characterised by...
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Malaysian Institute of Chemistry
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2-s2.0-85206008137 Azharan H.I.M.N.; Hamali M.A.; Tajuddin A.M.; Sapari S.; Razak F.I.A.; Pungot N.H.; Ahmad S.N.; Sirat S.S. Revisiting the Reaction of Ru3(CO)12 with Ph2PCH2CH2PPh2: Synthesis, Crystal Structure, and DFT Study of Ru3(CO)8(µPh2PCH2CH2PPh2)2 2024 Malaysian Journal of Chemistry 26 5 10.55373/mjchem.v26i5.209 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85206008137&doi=10.55373%2fmjchem.v26i5.209&partnerID=40&md5=bcb78f53163fd23d01db824682dedd6f The reaction between Ru3(CO)12 and 1,2-bis(diphenylphosphino)ethane (dppe/ Ph2PCH2CH2PPh2) with the presence of sodium benzophenone ketyl radical anion in tetrahydrofuran resulted in the formation of the expected metal cluster Ru3(CO)8(µ-Ph2PCH2CH2PPh2)2. The compound was completely characterised by spectroscopic methods, and its molecular structure was confirmed by single-crystal X-ray diffraction. The structure of Ru3(CO)8(µ-Ph2PCH2CH2PPh2)2 was crystallised in triclinic system with P-1 group at a = 14.558(3), b = 18.869(5), c = 19.088(4) Å, α = 89.809(6), ß = 89.979(5) and γ = 89.968(6)°. The Ph2PCH2CH2PPh2 ligands are coordinated with μ2-η2 bonding mode to Ru–Ru bonds. The structure was further analysed by Density Functional Theory (DFT) using hybrid GEN method exchange-correlation LanL2DZ for Ru metal and B3LYP/6-31G (d, p) basis set for all other atoms. The HOMO-LUMO energy gap and the Molecular Electrostatic Potential (MEP) were illustrated. © 2024 Malaysian Institute of Chemistry. All rights reserved. Malaysian Institute of Chemistry 15112292 English Article |
author |
Azharan H.I.M.N.; Hamali M.A.; Tajuddin A.M.; Sapari S.; Razak F.I.A.; Pungot N.H.; Ahmad S.N.; Sirat S.S. |
spellingShingle |
Azharan H.I.M.N.; Hamali M.A.; Tajuddin A.M.; Sapari S.; Razak F.I.A.; Pungot N.H.; Ahmad S.N.; Sirat S.S. Revisiting the Reaction of Ru3(CO)12 with Ph2PCH2CH2PPh2: Synthesis, Crystal Structure, and DFT Study of Ru3(CO)8(µPh2PCH2CH2PPh2)2 |
author_facet |
Azharan H.I.M.N.; Hamali M.A.; Tajuddin A.M.; Sapari S.; Razak F.I.A.; Pungot N.H.; Ahmad S.N.; Sirat S.S. |
author_sort |
Azharan H.I.M.N.; Hamali M.A.; Tajuddin A.M.; Sapari S.; Razak F.I.A.; Pungot N.H.; Ahmad S.N.; Sirat S.S. |
title |
Revisiting the Reaction of Ru3(CO)12 with Ph2PCH2CH2PPh2: Synthesis, Crystal Structure, and DFT Study of Ru3(CO)8(µPh2PCH2CH2PPh2)2 |
title_short |
Revisiting the Reaction of Ru3(CO)12 with Ph2PCH2CH2PPh2: Synthesis, Crystal Structure, and DFT Study of Ru3(CO)8(µPh2PCH2CH2PPh2)2 |
title_full |
Revisiting the Reaction of Ru3(CO)12 with Ph2PCH2CH2PPh2: Synthesis, Crystal Structure, and DFT Study of Ru3(CO)8(µPh2PCH2CH2PPh2)2 |
title_fullStr |
Revisiting the Reaction of Ru3(CO)12 with Ph2PCH2CH2PPh2: Synthesis, Crystal Structure, and DFT Study of Ru3(CO)8(µPh2PCH2CH2PPh2)2 |
title_full_unstemmed |
Revisiting the Reaction of Ru3(CO)12 with Ph2PCH2CH2PPh2: Synthesis, Crystal Structure, and DFT Study of Ru3(CO)8(µPh2PCH2CH2PPh2)2 |
title_sort |
Revisiting the Reaction of Ru3(CO)12 with Ph2PCH2CH2PPh2: Synthesis, Crystal Structure, and DFT Study of Ru3(CO)8(µPh2PCH2CH2PPh2)2 |
publishDate |
2024 |
container_title |
Malaysian Journal of Chemistry |
container_volume |
26 |
container_issue |
5 |
doi_str_mv |
10.55373/mjchem.v26i5.209 |
url |
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85206008137&doi=10.55373%2fmjchem.v26i5.209&partnerID=40&md5=bcb78f53163fd23d01db824682dedd6f |
description |
The reaction between Ru3(CO)12 and 1,2-bis(diphenylphosphino)ethane (dppe/ Ph2PCH2CH2PPh2) with the presence of sodium benzophenone ketyl radical anion in tetrahydrofuran resulted in the formation of the expected metal cluster Ru3(CO)8(µ-Ph2PCH2CH2PPh2)2. The compound was completely characterised by spectroscopic methods, and its molecular structure was confirmed by single-crystal X-ray diffraction. The structure of Ru3(CO)8(µ-Ph2PCH2CH2PPh2)2 was crystallised in triclinic system with P-1 group at a = 14.558(3), b = 18.869(5), c = 19.088(4) Å, α = 89.809(6), ß = 89.979(5) and γ = 89.968(6)°. The Ph2PCH2CH2PPh2 ligands are coordinated with μ2-η2 bonding mode to Ru–Ru bonds. The structure was further analysed by Density Functional Theory (DFT) using hybrid GEN method exchange-correlation LanL2DZ for Ru metal and B3LYP/6-31G (d, p) basis set for all other atoms. The HOMO-LUMO energy gap and the Molecular Electrostatic Potential (MEP) were illustrated. © 2024 Malaysian Institute of Chemistry. All rights reserved. |
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Malaysian Institute of Chemistry |
issn |
15112292 |
language |
English |
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Article |
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scopus |
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Scopus |
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