So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Sedghi, Asieh; Sabounchei, Seyyed Javad; Yousefi, Abed; Sayadi, Mohsen; Bayat, Mehdi; Gable, Robert W. researched the compound: Dichloro(1,5-cyclooctadiene)platinum(II)( cas:12080-32-9 ).Category: alcohols-buliding-blocks.They published the article 《C,C coordination mode in comparison with C,P coordination mode in six and seven pallada- and platinacycle complexes of phosphorous ylide; synthesis, X-ray and theoretical studies》 about this compound( cas:12080-32-9 ) in Journal of Molecular Structure. Keywords: coordination mode six seven palladacycle platinacycle complex phosphorus ylide; crystal structure mol optimized palladacycle platinacycle phosphorus ylide; six seven membered palladacycle platinacycle phosphorus ylide preparation energy. We’ll tell you more about this compound (cas:12080-32-9).
New sym. [p-CN-C6H4C(O)CH2PPh2(CH2)2PPh2CH2C(O)C6H4-p-CN]Br2(1) and unsym. [PPh2(CH2)2PPh2CH2C(O)C6H4-p-CN]Br (2) phosphonium salts were prepared by reacting Bis(diphenylphosphino)ethane (dppe) with p-CN-C6H4C(O)CH2Br in acetone, in 1:2 and 1:1 ratios, resp. Treatment of these salts with an appropriate alkali led to sym. p-CN-C6H4C(O)C(H)PPh2(CH2)2PPh2C(H)C(O)C6H4-p-CN (3) and unsym. PPh2(CH2)2PPh2C(H)C(O)C6H4-p-CN (4) ylides. The reaction of 3 and 4 with [MCl2(cod)] (M = Pd or Pt; cod = 1,5-cyclooctadiene) in 1:1 ratio, using dichloromethane as a solvent, led to mononuclear seven membered metallocyclic ring complexes [MCl2(p-CN-C6H4C(O)C(H)PPh2(CH2)2PPh2C(H)C(O)C6H4-p-CN)] (M = Pd (5) and Pt (6), having C,C coordination mode) and mononuclear six membered ring complexes [MCl2(PPh2(CH2)2PPh2C(H)C(O)C6H4-p-CN)] (M = Pd (7) and Pt (8), having P,C coordination mode), resp. Characterization of the resulting compounds were performed by elemental anal., IR, 1H,13C and 31P NMR spectroscopic methods. As well, the unequivocal structure of compound 5 (seven membered pallada-cycle complex) was characterized crystallog. In the sym. complexes, with seven membered metallocyclic rings, the title ylide is coordinated to the metal through two ylidic carbon atoms. Using theor. methods, D.-function theory (DFT) calculations at the BP86/def2-SVP level of theory, the structures of the unsym. six membered pallada- and platinacyclic complexes were compared with the structures of the sym. seven membered pallada- and platinacyclic complexes. The strength and nature of donor-acceptor bonds between the phosphorus ylide (Y ligand) and MCl2 fragments in the [YMCl2] M = Pd, Pt, Y = p-CN-C6H4C(O)C(H)PPh2(CH2)2PPh2C(H)C(O)C6H4-p-CN,PPh2(CH2)nPPh2C(H)C(O)C6H4-p-CN, n = 1-2, were carried out by Natural bond orbital anal. (NBO) and energy-decomposition anal. (EDA) as well as their natural orbitals for chem. valence (NOCV) variations.
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