Theoretical study of the electronic structure of iridium monoxide
文献类型：期刊论文
| 作者 | Suo, Bingbing2; Dong, Aimin3; Han, Huixian1; Lei, Yibo4; Wang, Yangqiang2 |
| 刊名 | CHEMICAL PHYSICS LETTERS
 |
| 出版日期 | 2012-10-01 |
| 卷号 | 548页码:12-16 |
| ISSN号 | 0009-2614 |
| DOI | 10.1016/j.cplett.2012.08.025 |
| 文献子类 | Article |
| 英文摘要 | Potential energy curves of 25 low-lying electronic states of IrO are calculated with the multi-state complete active space second order perturbation theory (MS-CASPT2) method. The lowest state calculated without spin-orbit interactions has the 2 P symmetry. However, when spin-orbit coupling effect is considered, the ground state is the X-4 Delta(7/2) and the (2)Pi(3/2) is located 633 cm(-1) above. The excited A(2)Delta state splits into A(2)Delta(3/2) and A(2)Delta(1/2), which are 8233 and 9741 cm(-1) higher than the X-4 Delta(2/7) state respectively. Electronic transitions from the two excited states H-2 Delta(Omega) and D-2 Pi(Omega) to the A(2)Delta(Omega) state produce the rotationally resolved bands observed experimentally. (C) 2012 Elsevier B. V. All rights reserved. |
| WOS关键词 | LASER-INDUCED FLUORESCENCE ; TRANSITION-METAL ; VISIBLE SPECTRUM ; RHODIUM MONOXIDE ; GROUND-STATE ; GASEOUS COO ; RED SYSTEM ; ATOMS ; CHEMISTRY ; ENERGIES |
| 语种 | 英语 |
| WOS记录号 | WOS:000308976200003 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://119.78.100.186/handle/113462/47773]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Han, Huixian |
| 作者单位 | 1.NW Univ Xian, Dept Phys, Xian 710069, Peoples R China 2.NW Univ Xian, Inst Modern Phys, Xian 710069, Peoples R China 3.Nanchang Hangkong Univ, Nanchang 33000, Peoples R China 4.NW Univ Xian, Coll Chem & Mat Sci, Minist Educ, Key Lab Synthet & Nat Funct Mol Chem, Xian 710069, Peoples R China |
| 推荐引用方式 GB/T 7714 | Suo, Bingbing,Dong, Aimin,Han, Huixian,et al. Theoretical study of the electronic structure of iridium monoxide[J]. CHEMICAL PHYSICS LETTERS,2012,548:12-16. |
| APA | Suo, Bingbing,Dong, Aimin,Han, Huixian,Lei, Yibo,&Wang, Yangqiang.(2012).Theoretical study of the electronic structure of iridium monoxide.CHEMICAL PHYSICS LETTERS,548,12-16. |
| MLA | Suo, Bingbing,et al."Theoretical study of the electronic structure of iridium monoxide".CHEMICAL PHYSICS LETTERS 548(2012):12-16. |
入库方式： OAI收割
来源：近代物理研究所
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