Influence of the substituted side group on the molecular structure and electronic properties of TPP and related implications on organic zeolites use
文献类型：期刊论文
| 作者 | Gahungu, Godefroid; Zhang, Bin; Zhang, Jingping |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY B
 |
| 出版日期 | 2007-05-17 |
| 卷号 | 111期号:19页码:5031-5033 |
| ISSN号 | 1520-6106 |
| DOI | 10.1021/jp070101k |
| 英文摘要 | Tris(o-phenylenedioxy)cyclotriphosphazene (TPP) became a compound of choice to investigate the structural features of organic zeolite and their potential applications. Different TPP-like materials are studied in this Letter from the electron-donor (E-D) capacity viewpoint, since this was reported as a stabilizing parameter of the TPP-Lewis acid inclusion compound up to high temperatures. On the basis of DFT-PBE0/6-31G(d,p) calculations, the results reported herein show a tight dependence of the E-D of the entire molecule on that of the side group. It was shown that both the O/NH substitution and the extension of the phenylenedioxyl group with an aromatic ring significantly enhance the E-D. As a result, the corresponding clathrates, including some reported ones, may also be exploited for the same issue, with an even wider range of operating temperatures when trapping compounds of Lewis acidity character comparable to that of I-2. Furthermore, it was concluded that these two strategies may significantly enhance the E-D capacity without altering the tolerance of TPP-like host materials to the guest molecules. |
| 语种 | 英语 |
| WOS记录号 | WOS:000246341300001 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/62843]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zhang, Jingping |
| 作者单位 | 1.NE Normal Univ, Fac Chem, Changchun 130024, Peoples R China 2.Univ Burundi, Fac Sci, Dept Chim, Bujumbura, Burundi 3.Inst Chem, CMS, Organ Solid Lab, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Gahungu, Godefroid,Zhang, Bin,Zhang, Jingping. Influence of the substituted side group on the molecular structure and electronic properties of TPP and related implications on organic zeolites use[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2007,111(19):5031-5033. |
| APA | Gahungu, Godefroid,Zhang, Bin,&Zhang, Jingping.(2007).Influence of the substituted side group on the molecular structure and electronic properties of TPP and related implications on organic zeolites use.JOURNAL OF PHYSICAL CHEMISTRY B,111(19),5031-5033. |
| MLA | Gahungu, Godefroid,et al."Influence of the substituted side group on the molecular structure and electronic properties of TPP and related implications on organic zeolites use".JOURNAL OF PHYSICAL CHEMISTRY B 111.19(2007):5031-5033. |
入库方式： OAI收割
来源：化学研究所
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