Conformational preferences of the 1,2-hydrazine dicarboxylic acid dimethylester. A comparison with the hydrazide analogue

A conformational study of 1,2-hydrazine dicarboxylic acid dimethyl ester us ing quantum mechanical methods is presented. Gas-phase calculations have be en performed at the ab initio level including electron correlation effects. The effects of aqueous and carbon tetrachloride solvents have been evaluat ed using a self-consistent reaction-field. The main trends predicted for th e COO-NH-NH-COO- moiety have been compared with those previously obtained f or the -CO-NH-NH-CO- moiety of the N,N ' -diacetylhydrazine, which were com puted at the same levels of theory. (C) 2001 Elsevier Science B.V. All righ ts reserved.