Schiff pentadentate ligands based on an [ON2O2] core displaying structural isomerism and their coordination to dibutyltin moieties
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- 作者：Jovana Pé ; rez-Pé ; reza ; José ; G. Alvarado-Rodrí ; gueza ; jgar@uaeh.edu.mx" class="auth_mail" title="E-mail the corresponding author ; Noemí ; Andrade-Ló ; peza ; Juliá ; n Cruz Borbollaa ; Diego Martí ; nez-Oterob ; José ; Manuel Vá ; squez-Pé ; reza
- 关键词：Tin compounds ; Schiff ligands ; DFT
- 刊名：Inorganic Chemistry Communications
- 出版年：2016
- 出版时间：August 2016
- 年：2016
- 卷：70
- 期：Complete
- 页码：75-78
- 全文大小：683 K
文摘
Two tin compounds [Sn(nBu)2(Ln)], where L1
{O(C6H4-2-NC(H)C6H4-2′-O)2}2 − and L2{O(C6H4-2-C(H)NC6H4-2′-O)2}2 − enclosing five electron donors in an [ON2O2] core, were synthesized and structurally characterized by infrared and NMR spectroscopy and by single crystal X-ray crystallographic studies at room temperature. The hepta-coordinate geometry around the Sn centers is achieved through the bonding of two monodentate n-butyl groups and the coordination of the pentadentate Ln ligands, where the [ON2O2] core is forming a pentagonal base. The two types of oxygen atoms displayed different bonding situations around the Sn atom. DFT calculations with Gaussian 09 using PBEPBE/6-31G**/SDD level were carried out for both compounds. The topological analysis indicated that bond critical points are present along the SnOether direction.
{O(C6H4-2-NC(H)C6H4-2′-O)2}2 − and L2{O(C6H4-2-C(H)NC6H4-2′-O)2}2 − enclosing five electron donors in an [ON2O2] core, were synthesized and structurally characterized by infrared and NMR spectroscopy and by single crystal X-ray crystallographic studies at room temperature. The hepta-coordinate geometry around the Sn centers is achieved through the bonding of two monodentate n-butyl groups and the coordination of the pentadentate Ln ligands, where the [ON2O2] core is forming a pentagonal base. The two types of oxygen atoms displayed different bonding situations around the Sn atom. DFT calculations with Gaussian 09 using PBEPBE/6-31G**/SDD level were carried out for both compounds. The topological analysis indicated that bond critical points are present along the SnOether direction.