Molecular structure, spectroscopic studies, and copper oxygen bond strength of α-methyl and α-ethyl derivatives of copper (II) acetylacetonate; Experimental and theoretical approach

Molecular structure and intramolecular hydrogen bond strength of 3-methyl-4-amino-3-penten-2-one and its N Me and N-Ph substitutions by experimental and theoretical methods

“…As it is shown in Table 1, lengthening of C=C and C-C bonds in 3-MeAPO molecule in comparison with APO, could be attributed to the steric effect of α-CH 3 on C-C-C fragment of chelated ring and increasing of π-electron delocalization in this fragment. This result is in excellent agreement with the reported results for halogen-substituted acetylacetonates of boron difluoride and α-alkyl derivates of copper (II) acetylacetonate [48,49]. This Table also shows that the C2-C1 and C4-C5 bond lengths in all molecules are longer than the corresponding bond lengths in APO.…”