Interconversion between Ruthenacyclohexadiene and Ruthenabenzene: A Combined Experimental and Theoretical Study

Submitted by Jun Zhu on Sat, 09/13/2014 - 00:02
Authors: 
Hong Zhang*, Ran Lin, Jinhua Li, Jun Zhu, Haiping Xia
Journal: 
Organometallics
Year: 
2014
Volume: 
33
FirstPage-LastPage: 
5606–5609
Keywords: 
Interconversion
Ruthenabenzene
DFT
TOC: 
Abstract: 

Treatment of ruthenabenzene [(C9H6NO)Ru{CC(PPh3)CHC(PPh3)CH}(C9H6NO)(PPh3)]Cl2 (1) with NaBH4 produces the first ruthenacyclohexa-1,4-diene [(C9H6NO)Ru{CC(PPh3)CH2C(PPh3)CH}(C9H6NO)(PPh3)]Cl (2), which was fully characterized. Under an oxygen atmosphere, complex 2 can easily convert to complex 1. DFT calculations were carried out to rationalize the high regioselectivity in the reaction of the ruthenabenene 1 with NaBH4 and the interconversion between 1 and 2.

http://pubs.acs.org/doi/abs/10.1021/om500550a

Doi: 
10.1021/om500550a