Figshare最新文献

{"title":"Silver(I) Complexes in Coordination Supramolecular System with BulkynAcridine-Based Ligands:  Syntheses, Crystal Structures, and TheoreticalnInvestigations on C−H···Ag Close Interaction","authors":"Chun-Sen Liu (1769881), Pei-Quan Chen (2534419), En-Cui Yang (805622), Jin-Lei Tian (2059486), Xian-He Bu (1605673), Zheng-Ming Li (533903), Hong-Wei Sun (115717), Zhenyang Lin (1463215)","doi":"10.1021/ic060087a.s001","DOIUrl":"https://doi.org/10.1021/ic060087a.s001","url":null,"abstract":"In our efforts to investigate the coordination architectures of transition metals and organic ligands with tailorednstructures, we have prepared two structurally related rigid bulky acridine-based ligands, 9-[3-(2-pyridyl)pyrazol-1-yl]- acridine (<b>L</b><sup>1</sup>) and 9-(1-imidazolyl)acridine (<b>L</b><sup>2</sup>), and synthesized and characterized four of their Ag(I) complexes,n{[Ag<b>L</b><sup>1</sup>](ClO<sub>4</sub>)}<sub>2</sub> (<b>1</b>), {[Ag<b>L</b><sup>1</sup>](NO<sub>3</sub>)}<sub>2</sub> (<b>2</b>), [Ag<b>L</b><sup>2</sup><sub>2</sub>](ClO<sub>4</sub>) (<b>3</b>), and {[(Ag<sub>3</sub><b>L</b><sup>2</sup><sub>3</sub>)(NO<sub>3</sub>)](NO<sub>3</sub>)<sub>2</sub>(H<sub>2</sub>O)}<sub>∞</sub> (<b>4</b>). The single-crystal X-ray diffraction analysis shows that the structures of <b>1 </b>and <b>2 </b>are similar to each other, with the twonintramolecular Ag(I) centers of each complex being encircled by two <b>L</b><sup>1</sup> ligands; this forms a unique boxlike cyclicndimer, which is further linked to form one-dimensional (1D) chains of <b>1</b> and a two-dimensional (2D) network of <b>2</b>nby intermolecular face-to-face π···π stacking and/or weak C−H···O hydrogen-bonding interactions, respectively.n<b>3 </b>has a mononuclear structure, which is further assembled into a 2D network via intermolecular Ag···O and π···πnstacking weak interactions. <b>4</b> possesses two different 1D motifs that are further interlinked through interlayer face-to-face π···π stacking and Ag···O weak interactions, resulting in a 2D network. It is worth noting that one of theninteresting structural features of <b>1</b>, <b>2</b>, and <b>4</b> is the presence of obvious C−H···M hydrogen-bonding interactionsnbetween the Ag centers and some acridine ring H atoms identified by X-ray diffraction on the basis of the van dernWaals radii. Furthermore, as a representative example, full geometry optimization on the basis of the experimentalnstructure, the natural bond orbital (NBO), and topological analysis of <b>1</b> were carried out by DFT and AIM (Atomsnin Molecules) calculations. The total C−H···Ag interaction energy in <b>1</b> is estimated to be about 14 kJ/mol. Therefore,nthis work offers three new rare examples (<b>1</b>,<b> 2</b>, and<b> 4</b>) that exhibit C−H···Ag weak interactions, in which the Nndonors of the acridine rings coordinate to Ag(I) ions. Also, these results strongly support the existence ofnC−H···Ag close inte","PeriodicalId":522238,"journal":{"name":"Figshare","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147893969","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}