title: Hydrogen bonding in the gas-phase: the molecular structures of 2-hydroxybenzamide (C7H7NO2) and 2-methoxybenzamide (C8H9NO2), obtained by gas-phase electron diffraction and theoretical calculations.
abstract: The structures of 2-hydroxybenzamide (C7H7NO2) and 2-methoxybenzamide (C8H9NO2) have been determined in the gas-phase by electron diffraction using results from quantum chemical calculations to inform restraints used on the structural parameters. Theoretical methods (HF and MP2/6-311+G(d,p)) predict four stable conformers for both 2-hydroxybenzamide and 2-methoxybenzamide. For both compounds, evidence for intramolecular hydrogen bonding is presented. In 2-hydroxybenzamide, the observed hydrogen bonded fragment is between the hydroxyl and carbonyl groups, while in 2-methoxybenzamide, the hydrogen bonded fragment is between one of the hydrogen atoms of the amide group and the methoxy oxygen atom.
authors.affiliation: Faculty of Technology, Art and Design, Oslo and Akershus University College of Applied Sciences, PO Box 4, St. Olavs Plass N-0130 Oslo, Norway.
authors.forename: Kirsten
authors.initials: K
authors.lastname: Aarset
authors.forename: Elizabeth M
authors.initials: EM
authors.lastname: Page
authors.forename: David A
authors.initials: DA
authors.lastname: Rice