|
|||||
|
|
A topological isomer of ferrocene: Theoretical approach for transition metal complexes with conjugated all trans cyclodecapentaene |
|
| Authors: | Akira Nakamura Kazushi Mashima |
| Institution: | a OM Research, 7-2-1308, Minami-ohgimachi, Kita-ku, Osaka 530-0052, Japan b Department of Chemistry, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan |
| Abstract: | We demonstrate the ability of all-trans DPEN as a suitable ligand for transition metals by DFT computation B3LYP/6-311+G(2d,p) and BP86 level]. The iron complex Fe(DPEN) is a unique topological isomer of ferrocene. |
| Keywords: | DFT Calculation Cyclodecapentaene Ferrocene isomer s-trans |
| 本文献已被 ScienceDirect 等数据库收录！ | |