مشخصات پژوهش

عنوان	Pallada‐ and platinacycle complexes of phosphorus ylides; synthesis, X‐ray characterization, theoretical and electrochemical studies and application of Pd(II) complexes as catalyst in Suzuki‐ Miyaura coupling reaction
نوع پژوهش	مقاله چاپ‌شده در مجلات علمی
کلیدواژه‌ها	DFT method, pallada‐ and platinacycle, phosphorus ylide, Suzuki‐Miyaura reaction, theoretical studies
چکیده	The new unsymmetrical phosphonium salts [Ph2PCH2PPh2CH2C(O)C6H4R]Br (R= m‐Br (S1) and p‐CN (S2)) were synthesized in the reaction of 1,1‐ bis(diphenylphosphino)methane (dppm) and BrCH2C(O)C6H4R (R= m‐Br and p‐ CN) ketones, respectively. Further treatment with NEt3 gave the α‐keto stabilized phosphorus ylides Ph2PCH2PPh2C(H)C(O)C6H4R (R= m‐Br (Y1) and p‐CN (Y2)). These ligands were reacted with [MCl2(cod)] (M= Pd and Pt; cod= 1,5‐ cyclooctadiene) to give the pallada‐ and platinacycle complexes [MCl2(Ph2PCH2PPh2C(H)C(O)C6H4R)] (M= Pd, R= m‐Br (3); R= p‐CN (4) and M= Pt, R= m‐Br (5); R= p‐CN (6)). Cyclic voltammetry, elemental analysis, IR and NMR (1H, 13C and 31P) spectroscopic methods were used for characterization of the obtained compounds. Further, the structure of complexes 3 and 4 were characterized crystallographically. Palladacycles 3 and 4 were proved to be excellent catalysts for the Suzuki‐Miyaura coupling reactions of various aryl chlorides and arylboronic acids in mixed DMF/H2O media. Also, the bonding situations between two interacted fragments [PtCl2] and Y1 and Y2 ligands in platinacycles 5 and 6 were investigated based on DFT method by using NBO, EDA and ETSNOCV analysis.
پژوهشگران	سیدجواد سیدزاده صابونچی (نفر اول)، آسیه صدقی (نفر دوم)، علی هاشمی (نفر سوم)، مرجان حسین زاده (نفر چهارم)، مهدی بیات (نفر پنجم)، Robert W. Gable (نفر ششم به بعد)