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Internal hydrogen bonding and positions of protonation in the monoprotonated forms of some 1,3- and 1,4-diamines

โœ Scribed by Hine, Jack; Li, Wu-Shyong

Book ID
126002418
Publisher
American Chemical Society
Year
1975
Tongue
English
Weight
840 KB
Volume
40
Category
Article
ISSN
0022-3263

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โœ Janet E. Del Bene; Willis B. Person; Krystyna Szczepaniak ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 391 KB

Ab initio calculations at the MP2/6-31 + G(d, p) level have been performed to determine the structures, binding energies, and vibrational spectra of a series of 1:1 HCl:4-X-pyridine complexes, with X = H, CH 3, NH 2, OH, F, C1, CN, CHO, Li, Na, O-and S-. The substituents include both electron donati