From serge@yorku.ca Sat May 10 12:42:16 1997 Received: from sunlight.ccs.yorku.ca for serge@yorku.ca by www.ccl.net (8.8.3/950822.1) id LAA06956; Sat, 10 May 1997 11:49:09 -0400 (EDT) Received: from localhost (serge@localhost) by sunlight.ccs.yorku.ca (8.8.5/8.8.5) with SMTP id LAA24438; Sat, 10 May 1997 11:49:07 -0400 (EDT) Date: Sat, 10 May 1997 11:49:07 -0400 (EDT) From: Serge Gorelsky X-Sender: serge@sunlight.ccs.yorku.ca To: YONG HUANG cc: CHEMISTRY@www.ccl.net Subject: Re: CCL:NaCl a radical? In-Reply-To: <970509204610.204a086b@ACS.TAMU.EDU> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Do you have any knowledge in chemistry? Even the first year students have to know that Na atom has a consiguration 1s2 2s2 2p6 3s1 (so one unpaired electron) Na+ ion has a configuration 1s2 2s2 2p6 (no unpaired electrons) So NaCl molecule has a closed shell ground state both experimentally and conputationally! ________________________________________________________________ Serge Gorelsky Inorganic Chemistry Laboratory Department of Chemistry, York University 4700 Keele St., North York, Toronto, Ontario M3J 1P3, Canada tel.(416) 736-2100 ext#77720 ________________________________________________________________ On Fri, 9 May 1997, YONG HUANG wrote: > I guess I didn't make it clear why this is a legitimate question. The reason I > ask wheather NaCl is a radical is because a Na atom is closed shell, so Na+ is > open shell. Na+Cl- is open shell. If you think NaCl is a Na atom plus a Cl atom > without electron transfer, then a Cl atom is open shell so NaCl is still open > shell. > > Yong > > -------This is added Automatically by the Software-------- > -- Original Sender Envelope Address: Y0H8797@ACS.TAMU.EDU > -- Original Sender From: Address: Y0H8797@ACS.TAMU.EDU > CHEMISTRY@www.ccl.net: Everybody | CHEMISTRY-REQUEST@www.ccl.net: Coordinator > MAILSERV@www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 > Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH@www.ccl.net -- archive search > Web: http://www.ccl.net/chemistry.html > From Y0H8797@ACS.TAMU.EDU Sat May 10 13:42:16 1997 Received: from VMS1.TAMU.EDU for Y0H8797@ACS.TAMU.EDU by www.ccl.net (8.8.3/950822.1) id MAA07277; Sat, 10 May 1997 12:53:13 -0400 (EDT) Date: Sat, 10 May 1997 11:53:13 -0500 (CDT) From: YONG HUANG To: CHEMISTRY@www.ccl.net Message-Id: <970510115313.202b8c18@ACS.TAMU.EDU> Subject: My mistake I apologize for my mistake due to my stupidity regarding to the NaCl question. I came up with the question when I saw a gas-phase equation in a book (maybe Dewar's PMO Theory book or some other book): Na+HCl->NaCl+H(sup)+. Obviously this is an abbreviation for the reaction where an electron is omitted on the right side. I was puzzled by the rule which is often strictly followed in mass spectrometry that a radical is written as "X(sup)." and a radical cation as "X(sup)+.". OK. A Na atom is a radical. How come I didn't think of this? Thanks for enlightenment and for the curtain of the Internet. Yong Hi, I'm a student, not a doctor yet. From boufer@cennas.nhmfl.gov Sat May 10 17:42:18 1997 Received: from cennas.nhmfl.gov for boufer@cennas.nhmfl.gov by www.ccl.net (8.8.3/950822.1) id RAA08736; Sat, 10 May 1997 17:36:57 -0400 (EDT) Received: from localhost (boufer@localhost) by cennas.nhmfl.gov (8.8.5/8.8.5) with SMTP id RAA01944 for ; Sat, 10 May 1997 17:36:57 -0400 (EDT) Date: Sat, 10 May 1997 17:36:57 -0400 (EDT) From: Ahmed Bouferguene X-Sender: boufer@cennas Reply-To: Ahmed Bouferguene To: CHEMISTRY@www.ccl.net Subject: G-92 : Problem Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi Netters, I am running G-92 repeatedly on the same molecule (by changing) some variables. It happens that from time to time, the program stops and gives the foillowing message : shmget failed.: File exists Segmentation fault - core dumped @ - Subscript out of range I wonder if somebody on this list is aware of such a problem (and how to solve it.) Thanks a lot.