A stereochemical basis for chiral discriminations: the extended transition monopole model

✍ Scribed by Refico Kuroda; Stephen F. Mason; Colin D. Rodger; Richard H. Seal

• Book ID: 103019462
• Publisher: Elsevier Science
• Year: 1978
• Tongue: English
• Weight: 479 KB
• Volume: 57
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(78)80339-x

✦ Synopsis

The dispersion energy between two Da trk@utadbnyl) metal complexeshas been calculated over a range of mutual orientations for van der Waals contact and ,I set of huger intermoIecukir separations, for both an active pair, A-A or A-A confiiations, 2nd a race&c or meso pair, A-A conf~urations, by summing the painvise coubmbic potential between the transition charge density located on each atom of the first mobcule with the corresponding density located on the individual atoms of the second molecule. It is shown that the small but fmite extension of dissymmetric mo!ecules relative to the generally larger intermoIecuIar separations cannot be negIected in chin11 discriminations The magnitude of observed chiral discriminations between corresponding A-A and A-A molecule pairs are accounted for satisfactorily by the extended transition monopole modet