Distribution of the unpaired electron in neutral bis(phthalocyaninato) yttrium double-deckers: An experimental and theoretical combinative investigation
文献类型：期刊论文
| 作者 | Chen, Xin1; Chen, Yuxiang1; Bai, Ming2; Wang, Chiming1; Qi, Dongdong1; Liu, Qingyun3; Xu, Meixing4; Jiang, Jianzhuang1 |
| 刊名 | JOURNAL OF PORPHYRINS AND PHTHALOCYANINES
 |
| 出版日期 | 2018 |
| 卷号 | 22期号:1-3页码:165-172 |
| 关键词 | Phthalocyanine Yttrium Double-decker Unpaired Electron Density Functional Calculations |
| ISSN号 | 1088-4246 |
| DOI | 10.1142/S1088424618500219 |
| 英文摘要 | The location of the unpaired electron in neutral bis(phthalocyaninato) yttrium doubledecker complexes, with different substituents, has been studied on the basis of both experimental methods and density functional theory (DFT) calculations over the molecular structures, atomic charges, electronic absorption, infrared spectra, and electron paramagnetic resonance. The results reveal the location of the unpaired electron mainly on the carbon atoms of both tetrapyrrole chromophores with the population distribution obviously affected by the peripheral substituents. |
| 语种 | 英语 |
| WOS记录号 | WOS:000427932100018 |
| 出版者 | WORLD SCI PUBL CO INC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/45875]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Bai, Ming; Qi, Dongdong |
| 作者单位 | 1.Univ Sci & Technol Beijing, Dept Chem, Beijing Key Lab Sci & Applicat Funct Mol & Crysta, Beijing 100083, Peoples R China 2.Shandong Univ Weihai, Marine Coll, Weihai 264209, Peoples R China 3.Shandong Univ Sci & Technol, Coll Chem & Environm Engn, Qingdao 266510, Peoples R China 4.Peking Univ, Coll Chem & Mol Engn, Beijing Natl Lab Mol Sci, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chen, Xin,Chen, Yuxiang,Bai, Ming,et al. Distribution of the unpaired electron in neutral bis(phthalocyaninato) yttrium double-deckers: An experimental and theoretical combinative investigation[J]. JOURNAL OF PORPHYRINS AND PHTHALOCYANINES,2018,22(1-3):165-172. |
| APA | Chen, Xin.,Chen, Yuxiang.,Bai, Ming.,Wang, Chiming.,Qi, Dongdong.,...&Jiang, Jianzhuang.(2018).Distribution of the unpaired electron in neutral bis(phthalocyaninato) yttrium double-deckers: An experimental and theoretical combinative investigation.JOURNAL OF PORPHYRINS AND PHTHALOCYANINES,22(1-3),165-172. |
| MLA | Chen, Xin,et al."Distribution of the unpaired electron in neutral bis(phthalocyaninato) yttrium double-deckers: An experimental and theoretical combinative investigation".JOURNAL OF PORPHYRINS AND PHTHALOCYANINES 22.1-3(2018):165-172. |
入库方式： OAI收割
来源：化学研究所
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