anitbonding orbitals
Title
Question
I would like to draw both bonding and antibonding orbitals for structures in my thesis. Could someone please tell me if there are any script commands for the antibonding orbitals as well as the bonding?
Jmol-Application Surfaces-and-Orbitals 11-12 min 0-10 sec
Answers:
Hi,
You can draw both bonding and anti-bonding orbitals for the structures using Jmol Application.
Script command starts with key word "lcaocartoon create" followed by the "type" of the orbital (example "px, py, pz or sp , sp2, sp3 etc).
"lcaocartoon create pz"
For creating anti-bonding orbitals color the lobes of p orbital on individual atoms differently using the command
Hope this helps.
Snehalatha Kaliappan
You can draw both bonding and anti-bonding orbitals for the structures using Jmol Application.
Script command starts with key word "lcaocartoon create" followed by the "type" of the orbital (example "px, py, pz or sp , sp2, sp3 etc).
"lcaocartoon create pz"
For creating anti-bonding orbitals color the lobes of p orbital on individual atoms differently using the command
select atomno=1;lcaocartoon color red create pza
select atomno=1;lcaocartoon color white pzb"
More information is available at the given link: http://chemapps.stolaf.edu/jmol/docs/?ver=14.2#lcaocartoon.
Hope this helps.
Snehalatha Kaliappan
Login to add comment