From owner-chemistry@ccl.net Sun Jun 29 07:03:01 2008 From: "Michael Shokhen shokhen _ mail.biu.ac.il" To: CCL Subject: CCL: H2O---S(-) H-bond distance Message-Id: <-37273-080629065733-5169-AXZmMMlKiMp5ibtG9WP2Ew]-[server.ccl.net> X-Original-From: "Michael Shokhen" Date: Sun, 29 Jun 2008 06:57:29 -0400 Sent to CCL by: "Michael Shokhen" [shokhen:+:mail.biu.ac.il] Dear Colleagues, I am looking for hydrogen bond distances of H2O -- S(-)-R that could be formed in water solvent (H-bond between water molecule and thiolate anion, like in the ionized Cys or mercaptans) . The mentioned distances could be theoretically calculated by high level ab initio or, if available, experimentally estimated. I would appreciate if somebody can address me to the corresponding literature references. Kind regards, Michael From owner-chemistry@ccl.net Sun Jun 29 17:59:00 2008 From: "Errol Lewars elewars+*+trentu.ca" To: CCL Subject: CCL: first use of word orbital Message-Id: <-37274-080629165744-12625-gTmQsJXCbcQapX/NrBNBgg]_[server.ccl.net> X-Original-From: "Errol Lewars" Date: Sun, 29 Jun 2008 16:57:40 -0400 Sent to CCL by: "Errol Lewars" [elewars|*|trentu.ca] 2008 June 29 Does anyone have a reference to the very first appearance of the word "orbital" in the literature? I know it is generally thought to have been Mulliken, and to mean "like an orbit", in deference to the deficiences of a semiclassical Bohr orbit. Mulliken in his review "Bonding power of electrons and theory of valence" in Chem Rev, 1931, 9, 347, on page 361 refers (ref. 8) to _Heitler's_ "...concept of 'orbital valence'..." : "W. Heitler, Z. Physik 31, 185-205 (1930)." So the word was known in 1931. While I wait to get hold of the original 1930 Heitler paper, to see if he refers to "ein Orbital", has anyone another reference?. E. Lewars elewars-.-trentu.ca