Subject: RE: electron state of LaF?

From: "Shobe, Dave" <[email-masked]>
Date: Mon, 01 Oct 2001 11:54:47 -0400

3(Delta) is a possible state of (PI)(PI) only when these two singly-occupied
orbitals are from different pairs of pi orbitals.  E.g. one electron in the
bonding pi orbital, and the other in the antibonding pi orbital.  I don't
think such a state would ever be the ground state however.

--David

-----Original Message-----
From: Christoph van Wüllen [mailto:[email-masked]]
Sent: Monday, October 01, 2001 3:35 AM
To: Denny
Cc: [email-masked]
Subject: CCL:electron state of LaF?

>
>I know the configuration (PI)(PI) can produce 3(Sigma)^(+), 3(Sigma)^(-),

    ^^^^

>3(Delta).

>...for a delta state, you have to put two electrons in a l_z=2 orbital. Two
electrons in one orbital, that makes a singlet for me. With the number of
alpha
electrons exceeding the number of beta electrons by 2, you should look for
the
triplets only --- 3(Sigma)^(-) ----.

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