From val@nmr1.ioc.ac.ru Sun Nov 30 11:38:23 1997 Received: from nmr1.ioc.ac.ru for val@nmr1.ioc.ac.ru by www.ccl.net (8.8.3/950822.1) id LAA07487; Sun, 30 Nov 1997 11:36:20 -0500 (EST) Received: from nmr-v.ioc.ac.ru (nmr-v.ioc.ac.ru [193.233.3.213]) by nmr1.ioc.ac.ru (8.6.12/8.6.9) with SMTP id UAA05988 for ; Sun, 30 Nov 1997 20:36:20 +0400 Message-ID: <348231D6.1C46@nmr1.ioc.ac.ru> Date: Sun, 30 Nov 1997 19:41:10 -0800 From: "Ananikov V.P." Reply-To: val@nmr1.ioc.ac.ru Organization: IOCh X-Mailer: Mozilla 3.0Gold (Win16; I) MIME-Version: 1.0 To: CHEMISTRY@www.ccl.net Subject: Pt(IV) pi-complexes Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear CCl, I am looking for the information concerning Pt(IV) pi-complexes. There is a statement in the experimental literature that Pt(IV) is not capable to form stable pi-complexes. I know many theoretical works about Pt(II) and Pt(0) pi-complexes and nothing about Pt(IV). Is Pt(IV) capable to form pi-complexes from the theoretical point of view? I appreciate receiving references about the calculations of Pt(IV) pi-complexes(good up to date references on comparative study of Pt(0) and Pt(II) pi-complexes are also of interest). Thank you in advance! I'll summarize. best wishes, Valentin. =============================================================== Valentin P. Ananikov NMR Laboratory N.D. Zelinsky Institute of Organic Chemistry Leninsky Prospect 47 Moscow 117913, Russia e-mail: val@nmr1.ioc.ac.ru http://nmr1.ioc.ac.ru/Staff/AnanikovVP/ Fax (7095) 1355328 Phone (7095) 9383536, (7095) 1359094 From jeonghy@camd1.kkpcr.re.kr Sun Nov 30 20:38:26 1997 Received: from camd1.kkpcr.re.kr for jeonghy@camd1.kkpcr.re.kr by www.ccl.net (8.8.3/950822.1) id UAA08727; Sun, 30 Nov 1997 20:22:02 -0500 (EST) Received: (from jeonghy@localhost) by camd1.kkpcr.re.kr (8.8.6H1/8.8.6) id KAA18164 for chemistry@www.ccl.net; Mon, 1 Dec 1997 10:23:51 -0900 (PST) From: Ho Young Jeong Message-Id: <199712011923.KAA18164@camd1.kkpcr.re.kr> Subject: errors of exp. data? To: chemistry@www.ccl.net Date: Mon, 1 Dec 1997 10:23:51 -0900 (PST) X-Mailer: ELM [version 2.4 PL21-h4] Content-Type: text Dear CCL, I'm interested in the accuracy of QM calculations comparing with experimental data such as structural pharameters from x-ray or neutron diffraction. I think that QM is able to accuire the rightness when being within the errors of experimental data though it uses small basis set or low level theoretical method. Thus, it is very important to know the error range of exp. data. I saw several postings in CCL about this problem, but they are not sufficient for me. For examples, error order is 0.01 A and 1 degree for bond length and angle respectivley. right? I know it can be variable under the experimental conditions, but hope your response provide much insight into the further theoretical studies. If possible, write down the references please. Thank you in advance, Ho Young. ----------------------------------------------------------------- //'''\\ Ho Young Jeong jeonghy@camd1.kkpcr.re.kr q ^ ^ p Kumho Chemical Laboratories (T)82-42-865-8625 ( ___ ) P.O.Box 64, Yuseong, Taejon 305-600, S. Korea ! ----------------------------------------------------------------- http://www.kkpcr.re.kr/~jeonghy/