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)

• Published in: JOURNAL OF MOLECULAR STRUCTURE
• Main Authors: Sirat, Siti Syaida; Rosli, Mohd Mustaqim; Arshad, Suhana; Al-Ibadi, Muhsen Abood Muhsen; Hassan, Ahlam Hussein; Yusof, Enis Nadia Md; Bin Shawkataly, Omar
• Format: Article
• Language: English
• Published: ELSEVIER 2025
• Subjects: Chemistry
• Online Access: https://www-webofscience-com.uitm.idm.oclc.org/wos/woscc/full-record/WOS:001328033400001

Reactions of Ru-3(CO)(12) with 1,5-bis(diphenylphosphino)pentane (dpppe) in THF induced by sodium benzophenone ketyl radical anion, resulted in the expected metal cluster [Ru-3(CO)(11)](2)(mu -dpppe) (1) and Ru-3(CO)(10)(mu -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 (H-1 and P-31{H-1} 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 & ctdot;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.