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)

被引：0

作者：

Sirat, Siti Syaida ^{[1
,2
]}

Rosli, Mohd Mustaqim ^{[3
]}

Arshad, Suhana ^{[3
]}

Al-Ibadi, Muhsen Abood Muhsen ^{[4
]}

Hassan, Ahlam Hussein ^{[5
]}

Yusof, Enis Nadia Md ^{[6
]}

Bin Shawkataly, Omar ^{[7
]}

机构：

[1] Univ Teknol MARA, Fac Appl Sci, Cawangan Negeri Sembilan, Kampus Kuala Pilah, Kuala Pilah 72000, Negeri Sembilan, Malaysia

[2] Univ Teknol MARA, Atta ur Rahman Inst Nat Prod Discovery AuRIns, Kampus Puncak Alam, Bandar Puncak Alam 42300, Selangor, Malaysia

[3] Univ Sains Malaysia, Sch Phys, X Ray Crystallog Unit, Minden 11800, Penang, Malaysia

[4] Univ Kufa, Coll Sci, Dept Chem, Najaf, Iraq

[5] Univ Al Kafeel, Coll Pharm, Najaf, Iraq

[6] Univ Sains Malaysia, Sch Distance Educ, Chem Sci Programme, Minden 11800, Penang, Malaysia

[7] Univ Teknol Malaysia, Fac Educ, Skudai 81300, Johor Bahru, Malaysia

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2025年 / 1321卷

关键词：

Triruthenium; Metal carbonyl cluster; Hirshfeld surface analysis; QTAIM analysis; LIGAND-SUBSTITUTED DERIVATIVES; X-RAY STRUCTURES; ELECTRON-DENSITY; TRIOSMIUM CLUSTERS; CARBONYL CLUSTERS; MOLECULAR-STRUCTURES; TOPOLOGICAL ANALYSIS; DIPHOSPHINE LIGANDS; BASIS-SETS; COMPLEXES;

D O I：

10.1016/j.molstruc.2024.140158

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页数：12

共 50 条

[1] The reaction of [Ru3(CO)12] with bis(diphenylphosphino)amine.: The crystal and molecular structure of [Ru3(CO)10(dppa)] and [Ru3(CO)8(dppa)2]
Sánchez-Cabrera, G
García-Báez, EV
Rosales-Hoz, MJ
[J]. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2000, 599 (02) : 313 - 316
[2] INTERMOLECULAR METAL ATOM SCRAMBLING IN RU3(CO)12 - REACTIONS OF [RU3(CO)12]-RU-101 AND [RU3(CO)12]-RU-104
HEINEKEY, DM
MUETTERTIES, EL
[J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1984, 188 (AUG): : 50 - INOR
[3] DIMERIZATION OF ISOPROPENYLACETYLENE ON RU3(CO)12 - SYNTHESIS AND CRYSTAL-STRUCTURE OF RU3(CO)8(C10H12)
GAMBINO, O
SAPPA, E
LANFREDI, AMM
TIRIPICCHIO, A
[J]. INORGANICA CHIMICA ACTA, 1979, 36 (02) : 189 - 195
[4] THE PREPARATION, CHARACTERIZATION AND SOME REACTIONS OF [RU3(CO)11(NCME)] AND [RU3(CO)10(NCME)2]
FOULDS, GA
JOHNSON, BFG
LEWIS, J
[J]. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1985, 296 (1-2) : 147 - 153
[5] Reactions of Ru3(CO)12 with ferrocenylacetylene
Koridze, A.A.
Ezernitskaya, M.G.
Petrovskij, P.V.
[J]. Metalloorganicheskaya Khimiya, 1992, 5 (01):
[6] SUBSTITUTION REACTIONS OF RU3(CO)12
CANDLIN, JP
SHORTLAN.AC
[J]. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1969, 16 (02) : 289 - &
[7] CRYSTAL STRUCTURE OF RUTHENIUM CARBONYL RU3(CO)12
MASON, R
RAE, AIM
[J]. JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1968, (04): : 778 - &
[8] Synthesis and electrochemistry of 1,1′-bis(diphenylphosphino) ferrocene derivatives of Ru3(CO)12.
Nataro, C
O'Connor, AR
Rheingold, A
[J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 224 : U702 - U702
[9] REACTIONS OF RU3(CO)12 WITH CHALCOGEN COMPOUNDS
SAPPA, E
CETINI, G
GAMBINO, O
[J]. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1972, 35 (02) : 375 - &
[10] REACTIONS OF RU3(CO)12 WITH NITROBENZENE AND ANILINE
SAPPA, E
MILONE, L
[J]. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1973, 61 (01) : 383 - 388

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