Multiwfn forum / Organometallic catalyst

Re: Organometallic catalyst

dummy@example.com (aitouna) — Tue, 26 Nov 2019 12:24:52 +0000

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

Sincerely,

Re: Organometallic catalyst

dummy@example.com (sobereva) — Tue, 26 Nov 2019 00:09:40 +0000

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.

Organometallic catalyst

dummy@example.com (aitouna) — Mon, 25 Nov 2019 18:32:05 +0000

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,