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Deprotonation Sites of Acetohydroxamic Acid Isomers. A Theoretical and Experimental Study

✍ Scribed by Senent, María L.; Niño, Alfonso; Caro, Camelia Muñoz; Ibeas, Satunino; García, Begoña; Leal, José M.; Secco, Fernando; Venturini, Marcella

Book ID
118243207
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
263 KB
Volume
68
Category
Article
ISSN
0022-3263

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## Abstract The ^1^H and ^13^C NMR chemical shifts of __cis__‐ and __trans__‐protopinium salts were measured and calculated. The calculations of the chemical shifts consisted of conformational analysis, geometry optimization (RHF/6–31G\*\* method) and shielding constants calculations (B3LYP/6–31G\*