Multiwfn forum

aitouna

Member

Registered: 2019-10-27

Posts: 20

Organometallic catalyst

Hello everybody,
How to build the organometallic catalyst Cp*RuCl(PPh3)2 using gaussview software ? the bond between the ligand Cp* and the Ruthenium should be drawn as covalent bond or what ?

Sincerely,

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

Website

Re: Organometallic catalyst

The gview has a built-in Cp fragment, just select it and attach it to the transition metal atom

You do not need to concern how to draw the bond, the representation of the bond in gview never affects quantum chemistry calculation.

aitouna

Member

Registered: 2019-10-27

Posts: 20

Re: Organometallic catalyst

Dear Professor Tian LU,
Thank you very much for the explanation.

Sincerely,