Aryltin chlorides and hydrides: Preparation, detailed NMR studies and DFT calculations

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• 作者：Cathrin Zeppek ; Johann Pichler ; Ana Torvisco ; Michaela Flock ; Frank Uhlig
• 关键词：Diaryltin dichlorides ; Aryltin trichlorides ; Diaryltin dihydrides ; Aryltin trihydrides ; 119Sn and 13C NMR ; DFT calculations
• 刊名：Journal of Organometallic Chemistry
• 出版年：2013
• 出版时间：15 September, 2013
• 年：2013
• 卷：740
• 期：Complete
• 页码：41-49
• 全文大小：721 K

文摘

A series of novel tin chlorides R_nSnCl_4?n and respective hydrides R_nSnH_4?n were synthesized displaying a range of substituted phenyl residues, as well as naphthyl moieties (R?=?Ph, o-tolyl, 2,4-xylyl, 2,6-xylyl, p-biphenyl, 1-naphthyl, 2-naphthyl). These compounds were characterized using ¹H, ¹³C and ¹¹⁹Sn NMR spectroscopy. In addition, X-ray diffraction was employed to elucidate the molecular structure of all solid aryltin chlorides (8-10, 14, 15). In each case, the tin is in a distorted tetrahedral environment. All naphthyl containing derivatives exhibit displaced ¦Ð-¦Ð stacking. DFT calculations were carried out to compare experimental NMR data with calculated ¹³C and ¹¹⁹Sn shifts, as well as ¹³C-¹¹⁹Sn coupling constants.