The effect of auxiliary ligand on the mechanism and reactivity: DFT study on H2 activation by Lewis acid–transition metal complex (tris(phosphino)borane)Fe(L)

2017 ◽  
Vol 7 (20) ◽  
pp. 4866-4878 ◽  
Author(s):  
Jianyu Zhang ◽  
Jiasheng Lin ◽  
Yinwu Li ◽  
Youxiang Shao ◽  
Xiao Huang ◽  
...  

The crucial role of the auxiliary ligand in hydrogen activation is revealed by DFT studies for the LA–TM ferraboratrane complex.

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