From owner-chemistry@ccl.net Tue May 26 19:17:01 2020
From: "Sergio Emanuel Galembeck segalemb(0)usp.br" <owner-chemistry**server.ccl.net>
To: CCL
Subject: CCL: Question about NBO
Message-Id: <-54073-200526184551-4145-4BseHO/mh3aFffdirKTkQg**server.ccl.net>
X-Original-From: Sergio Emanuel Galembeck <segalemb .. usp.br>
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Date: Tue, 26 May 2020 19:45:30 -0300
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Sent to CCL by: Sergio Emanuel Galembeck [segalemb]=[usp.br]
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Hello Partha,

A transition metal has many unoccupied lone pairs, numbered from lp*(1) to
lp*(n).
The easy way to find which hybrid orbital corresponds to an NBO is to
visualize it,
But, take care, first of all try to draw the Lewis structure, by using the
list of NBOs,
because NBO method frequently gives crazy Lewis structures for transition
metal
compounds.

Hope this help you,

Sergio

Prof. Dr. Sergio Emanuel Galembeck
Computational Quantum Chemistry Laboratory
Departamento de Qu=C3=ADmica - FFCLRP-USP
Av. Bandeirantes, 3900
14040-901 - Ribeirao Preto-SP
Brasil

phone: +55(16)33153765
segalemb*o*usp.br


Em qui., 21 de mai. de 2020 =C3=A0s 12:42, Partha Sengupta anapspsmo++gmail=
.com <
owner-chemistry*o*ccl.net> escreveu:

> Sir, I found some lp* notation in NBO analysis. These are lp*(5), Lp*(6)
> and lp*(7) etc for a Cu comples. What is the meaning of the numbers in th=
e
> paranthesis?
> P S Sengupta
>
> --
>
>
> *Dr. Partha Sarathi SenguptaAssociate ProfessorVivekananda Mahavidyalaya,
> Burdwan*
>

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<div dir=3D"ltr"><div><div dir=3D"ltr" class=3D"gmail_signature" data-smart=
mail=3D"gmail_signature"><div dir=3D"ltr"><div>Hello Partha,</div><div><br>=
</div><div>A transition metal has many unoccupied lone pairs, numbered from=
 lp*(1) to lp*(n).</div><div>The easy way to find which hybrid orbital corr=
esponds to an NBO is to visualize it,=C2=A0</div><div>But, take care, first=
 of all try to draw the Lewis structure, by using the list of NBOs,</div><d=
iv>because NBO method frequently gives crazy Lewis structures for transitio=
n metal=C2=A0</div><div>compounds.</div><div><br></div><div>Hope this help =
you,</div><div><br></div><div>Sergio=C2=A0</div><div>=C2=A0<br></div><div><=
div dir=3D"ltr">Prof. Dr. Sergio Emanuel Galembeck</div><div dir=3D"ltr">Co=
mputational Quantum Chemistry Laboratory<br><div>Departamento de Qu=C3=ADmi=
ca - FFCLRP-USP</div><div>Av. Bandeirantes, 3900</div><div>14040-901 - Ribe=
irao Preto-SP</div><div>Brasil</div><div><br></div><div>phone: +55(16)33153=
765</div><div><a href=3D"mailto:segalemb*o*usp.br" target=3D"_blank">segalemb=
*o*usp.br</a></div></div></div><div dir=3D"ltr"></div></div></div></div><br><=
/div><br><div class=3D"gmail_quote"><div dir=3D"ltr" class=3D"gmail_attr">E=
m qui., 21 de mai. de 2020 =C3=A0s 12:42, Partha Sengupta anapspsmo++<a hre=
f=3D"http://gmail.com">gmail.com</a> &lt;<a href=3D"mailto:owner-chemistry*o*=
ccl.net">owner-chemistry*o*ccl.net</a>&gt; escreveu:<br></div><blockquote cla=
ss=3D"gmail_quote" style=3D"margin:0px 0px 0px 0.8ex;border-left:1px solid =
rgb(204,204,204);padding-left:1ex"><div dir=3D"ltr"><span style=3D"color:rg=
b(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:14px">Sir, I foun=
d some lp* notation in NBO analysis. These are lp*(5), Lp*(6) and lp*(7) et=
c for a Cu comples. What is the meaning of the numbers in the paranthesis?<=
/span>=C2=A0=C2=A0<div>P S Sengupta<br clear=3D"all"><div><br></div>-- <br>=
<div dir=3D"ltr"><div dir=3D"ltr"><div><b><i><font size=3D"2" color=3D"#000=
0ff" style=3D"background-color:rgb(255,255,255)">Dr. Partha Sarathi Sengupt=
a<br>Associate Professor<br>Vivekananda Mahavidyalaya, Burdwan</font></i></=
b></div></div></div></div></div>
</blockquote></div>

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