How similar is the electronic structures of β-lactam and alanine?

摘要: Abstract The C1s spectra of β-lactam i.e. 2-azetidinone (C 3 H 5 NO), a drug and l -alanine 7 NO 2 ), an amino acid, exhibit striking similarities, which may be responsible for the competition between alanyl-alanine moiety in biochemistry. present study is to reveal degree similarities differences their electronic structures two model molecular pairs. It found that inner valence binding energy are due bonding connections but other properties such as ring structure (in 2-azetidinone) chiral carbon (alanine) can very different. Further, region ionization potential greater than 18 eV alanine also significantly similar. Finally strained lactam exhibits more chemical reactivity measured at all non-hydrogen atoms by Fukui functions with respect alanine.