Theoretical Study on the Reaction Mechanism of Formation of Lutidine Derivatives — Unexpected FLUORAL-P Compounds —

スポンサーリンク

概要

• 論文の詳細を見る

• The reaction path from acetyl acetone (pentane-2,4-dione) to lutidine derivative is calculated at the HF/3-21G + ZPC level(ZPC=zero point energy correction), and MP2/6-31G(d,p) + ZPC level. As a model for porous glass, H2Si=O and (OH)2Si=O make chemical bonds or strong complex with FLUORAL-P that decrease the activation energy of a H2O elimination reaction.

著者

• Nakamura Jiro

  Ntt Energy And Environment Systems Laboratories Nippon Telegraph And Telephone Corporation

• TERAMAE Hiroyuki

  Josai University

• Y. MARUO

  NTT Energy and Environment Systems Laboratories, NTT Corporation

• NAKAMURA Jiro

  NTT Energy and Environment Systems Laboratories, NTT Corporation

関連論文

• In-Use Stock of Copper Analysis Using Satellite Nighttime Light Observation Data
• Theoretical Study on the Reaction Mechanism of Formation of Lutidine Derivatives — Unexpected FLUORAL-P Compounds —

スポンサーリンク