Intramolecular hydrogen bond between hydroxyl group and .PI.-base in 2-hydroxybiphenyl.
スポンサーリンク
概要
- 論文の詳細を見る
In order to clarify the nature of the intramolecular hydrogen bond between the hydroxyl group and the π-electron system in 2-hydroxybiphenyl, MO calculation based on the CNDO/2 MO method has been carried out. The total electronic energy of the molecule has been divided into one- and two-atomic terms. It was found that the resonance term mainly contributes to the intramolecular hydrogen bond formation. Contribution of other terms is discussed.
- 公益社団法人 日本化学会の論文
著者
-
Nishimoto Kichisuke
Department of Chemistry Faculty of Science Osaka City University
-
Kawana Hiroko
Department of Chemistry, Faculty of Science, Osaka City University
-
Ioki Yoshikazu
Biophysics Division, National Cancer Center Research Institute
関連論文
- An Ab initio MO Study of the Fragmentation Mechanism of the Cycloglycylglycine Ion in Mass Spectrometry
- Electronic Structures of Naphthalenediols. II. β, β′-Naphthalenediols
- Linear Conjugated Systems Bearing Aromatic Terminal Groups. XIV. On the Electronic Spectral Regularity of α,ω-Diarylpolyenes
- An MO study of organic sulfur compounds. Comparison with the corresponding oxygen compounds.
- The effect of .SIGMA.-.PI. interaction on the electronic structure of molecules in the excited states. II. Oscillator strength.
- MO calculation of some aromatic radicals. Geometry and spin density of benzyl radical.
- Solvent effect on the hydrogen bonds between guanine and cytosine and between hypoxanthine and cytosine.
- Polarized absorption spectra of indole and benzimidazole.
- Intramolecular hydrogen bond between hydroxyl group and .PI.-base in 2-hydroxybiphenyl.
- An MO study of the reaction mechanism of photoisomerization from isoxazole via azirine intermediate to oxazole.
- The effective .PI.-electron Hamiltonian for the excited state. The effect of .SIGMA.-.PI. interaction.