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The chemical compound "(C5(CH3)5)2Zr(CH2P(C6H5)2)" is a type of organometallic compound, specifically a zirconium-based catalyst. It consists of a central zirconium atom bonded to two pentamethylcyclopentadienyl (C5(CH3)5) ligands, which are aromatic rings with five methyl groups attached to each carbon atom. Additionally, the zirconium is bonded to a diphenylphosphinoethane (CH2P(C6H5)2) ligand, which features a phosphorus atom bonded to two phenyl groups and an ethyl group. This structure is significant in the field of homogeneous catalysis, particularly in olefin polymerization processes, where it can act as a highly active catalyst. The combination of the cyclopentadienyl ligands and the diphenylphosphinoethane ligand contributes to the stability and reactivity of the catalyst, making it a valuable component in the production of various polymers.

96898-13-4

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96898-13-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 96898-13-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,6,8,9 and 8 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 96898-13:
(7*9)+(6*6)+(5*8)+(4*9)+(3*8)+(2*1)+(1*3)=204
204 % 10 = 4
So 96898-13-4 is a valid CAS Registry Number.

96898-13-4Downstream Products

96898-13-4Relevant academic research and scientific papers

Synthesis, structure determinations, and reduction of (C5H5)2Zr(Cl)CH2PMe2 and (C5Me5)2Zr(Cl)CH2PPh2

Young, Steven J.,Olmstead, Marilyn M.,Knudsen, Mark J.,Schore, Neil E.

, p. 1432 - 1436 (1985)

The syntheses and X-ray crystallographic analyses of Cp2Zr(Cl)CH2PMe2 (2) and (C5Me5)2Zr(Cl)CH2PPh2 (3) are reported. The former is monoclinic of space group P21/n with a = 8.077 (3) ?, b = 14.896 (6) ?, c = 11.704 (3) ?, β = 99.27 (3)°, V = 1389.8 (8) ?3, and Z = 4. This compound is structurally very similar to Cp2Zr(Cl)CH2PPh2 in possessing an extended, almost anti conformation for the Cl-Zr-C-P fragment about the Zr-C bond and a nonbonded Zr?P distance of 3.72 ?. The permethylcyclopentadienyl complex is monoclinic of space group P21/n with a = 10.285 (3) ?, b = 20.739 (5) ?, c = 14.078 (8) ?, β = 96.79 (4)°, V = 2982 (2) ?3, and Z = 4. In spite of the much bulkier ligands, this compound contains a gauche-like Cl-Zr-C-P system with a 31° dihedral angle and a relatively short 3.56-? Zr?P distance. One electron reduction of 2 produces a persistent P-bound Zr(III) species. In contrast, reduction of 3 gives a Zr(III) species lacking appreciable Zr-P interaction. The possible consequences of electronic and steric factors on these structures are discussed.

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