Subject: Urea: Flat or Chiral in the Gase Phase?

From: Artem Masunov <[email-masked]>
Date: Mon, 19 Dec 1994 02:39:45 -0500 (EST)

Dear Netters,
Doing my PhD research in Theoretical Chemistry, I found (at PM3 and
MP2/G95** levels, but not at AM1 and HF), that urea, (H2N)2C=O, is
nonplanar with two conformations (Cs and C2 symmetry), instead of  flat
C2v, like in crystal. Can anybody adwise me how to get references on
experimental (MW or ED) geometry of urea molecules in gase phase?
 
Vibrations and interconversion barriers are also wanted.
Somebody told me to ask Prof.B.P.Winnewisser. What is his E-mail address?
 
I'v heard, there is specific database on gase data like CCSDB
on crystals.
It showld locate somewhere in Germany. Does it have remote access?
Alternatively I am interested in new reference books (those old ones
I found in the library  say nothing about urea).
     I will be greately appreciated for all responces.
Send directly to me (I am not subscriber of CCL) and I'll summarize.
Regards,
        Artem.
--------------------------Artem E. Masunov----------------------------
| Chemistry Department, Hunter College, City University of New York  |
|   E-mail: [email-masked], tel: 212/725-0317, fax:772-5332   |
----------------------------------------------------------------------