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The chemical compound "(C5(CH3)5)Rh(P(CH3)3)(CH3C6H4)Br" is a rhodium-based organometallic complex. It features a rhodium atom at its center, which is coordinated to a pentamethylcyclopentadienyl ligand (C5(CH3)5), a triphenylphosphine ligand (P(CH3)3), and a bromobenzyl ligand (CH3C6H4). The compound is characterized by its unique structure, where the rhodium atom is bonded to these three ligands, creating a stable complex. This type of compound is of interest in various fields, including homogeneous catalysis, due to its potential to activate and transform organic molecules. The presence of the bromine atom suggests that it may be involved in substitution reactions or serve as a leaving group in catalytic processes.

81971-45-1

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81971-45-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 81971-45-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,1,9,7 and 1 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 81971-45:
(7*8)+(6*1)+(5*9)+(4*7)+(3*1)+(2*4)+(1*5)=151
151 % 10 = 1
So 81971-45-1 is a valid CAS Registry Number.

81971-45-1Relevant academic research and scientific papers

Preparation and conformational dynamics of (C5Me5)Rh(PR′3)RX. Hindered rotation about rhodium-phosphorus and rhodium-carbon bonds

Jones, William D.,Feher, Frank J.

, p. 2376 - 2388 (2008/10/08)

Compounds with the general formula [C5Me5]RhXR(PR′3) have been prepared by the reactions of [C5Me5]Rh(PR′3)X2 and the corresponding Grignard or lithium reagent (X = Cl, Br, I; R = Me, C-C5H9, n-C3H7, CH2CMe3, C6H5, o-C6H4Me, m-C6H4Me, p-C6H4Me, 2,5-C6H3Me2, 3,5-C6H3Me2, 3,4-C6H3Me2, p-C6H4CF3, p-C6H4F, p-C6H4OMe, p-C6H4NMe2, CH=CH2, CMe=CH2, C=CHCH2CH2CH2, CH2C6H5; R′ = Me, C6H5, p-C6H4Me). The aryl derivatives show hindered rotation about the rhodium-aryl bond, with ΔH? = 9.8 ± 0.2 kcal/mol and ΔS? = -13.7 ± 0.6 eu for R′ = Me, X = Cl, and R = p-tolyl and ΔH? = 11.0 ± 0.2 kcal/mol and ΔS? = -9.8 ± 0.6 eu for R′ = C6D5, X = Br, and R = p-tolyl. ΔG? for this hindered rotation was determined for several of the above compounds. In addition, the triarylphosphine complexes also show hindered rotation about the metal-phosphorus bond with H? = 15.7 ± 0.2 kcal/mol and S? = -2.8 ± 0.2 eu (X = Br, R = C6D5, R′ = p-tolyl) and ΔH? = 14.3 ± 0.3 kcal/mol and ΔS? = -1.8 ± 1.2 eu for (C5Me5)Rh[P(p-tolyl)3]Br2. Both complete band shape analysis and spin saturation methods were used to determine rate constants. ΔG? for rotation about the metal-aryl bond is insensitive to the nature of the para substituent on the aryl group but shows a moderate halide dependence and a stronger phosphine dependence. Single-crystal X-ray structural parameters for [C5(CH3)5]Rh[P(C-H3) 3](C6H5)Br are a = 11.459 (12) A?, b = 9.008 (6) A?, c = 19.298 (13) A?, β = 90.03 (2)°, V = 1992 A?3, Z = 4, dcalcd = 1.57 g/cm3, space group P21/c, R = 4.68%, and Rw = 6.15% for the 2009 independent reflections with F2 ≥ 3σ(F2). The Rh-phenyl bond distance of 2.05 A? is typical for a rhodium sp2-carbon bond and does not suggest any unusual π-bonding between the metal and the phenyl ligand.

The Mechanism and Thermodynamics of Alkane and Arene Carbon-Hydrogen Bond Activation in (C5Me5)Rh(PMe3)(R)H

Jones, William D.,Feher, Frank J.

, p. 1650 - 1663 (2007/10/02)

The complexes (C5Me5)Rh(PMe3)(R)X (R=Me, Ph, p-tolyl, 3,4-C6H3Me2, 3,5-C6H3Me2, 2,5-C6H3Me2, and ; X=Br) react with the hydride donors Li+- or Na+- to produce (C5Me5)Rh(

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