Surface-Independent Reversible Transition of Oil Adhesion under Water Induced by Lewis Acid-Base Interactions
文献类型：期刊论文
| 作者 | Li, Muchen; Wang, Bin; Heng, Liping; Jiang, Lei |
| 刊名 | ADVANCED MATERIALS INTERFACES
 |
| 出版日期 | 2014-12-01 |
| 卷号 | 1期号:9 |
| 英文摘要 | The lowest energy structures of peroxynitric acid have been studied with B3LYP/6-311++G(2d,2p) method. The potential energy surfaces (PES) along the ON and O-O bonds have been scanned at CCSD(T)/aug-cc-pVDZ level, respectively. The calculated results show that on the O-N PES, the O3-N4 bond length of the loose transition state is 2.82 angstrom and the corresponding energy barrier is 25.6 kcal/mol, while on the O-O PES, the loose transition state with of O2-O3 bond length of 2.35 angstrom has the energy barrier of 37.4 kcal/mol. Thus the primary reaction path for peroxynitric acid is the dissociation into HO2 and NO2. |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/38596]  |
| 专题 | 化学研究所_其它 |
| 推荐引用方式 GB/T 7714 | Li, Muchen,Wang, Bin,Heng, Liping,et al. Surface-Independent Reversible Transition of Oil Adhesion under Water Induced by Lewis Acid-Base Interactions[J]. ADVANCED MATERIALS INTERFACES,2014,1(9). |
| APA | Li, Muchen,Wang, Bin,Heng, Liping,&Jiang, Lei.(2014).Surface-Independent Reversible Transition of Oil Adhesion under Water Induced by Lewis Acid-Base Interactions.ADVANCED MATERIALS INTERFACES,1(9). |
| MLA | Li, Muchen,et al."Surface-Independent Reversible Transition of Oil Adhesion under Water Induced by Lewis Acid-Base Interactions".ADVANCED MATERIALS INTERFACES 1.9(2014). |
入库方式： OAI收割
来源：化学研究所
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