Wakayama University · Faculty of Systems Engineering · 教授

Research keywordsStructural Organic Chemistry・量子化学計算・Organoelement Chemistry・有機元素化学・Quantum Chemical Calculation・構造有機化学・QTAIM解析・NMR化学シフト

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• Extremely stable system of 1-haloselanyl-anthraquinones: Experimental and theoretical investigations2024 · Naoki Ogawa, Nobuhiro Suzuki, Yoshifumi Katsura, Mao Minoura, Waro Nakanishi, Satoko Hayashi (担当区分： 責任著者 )
• Intrinsic dynamic and static natures of APn--X+--BPn σ(3c–4e) type interactions (APn = BPn = N, P, As and Sb; X = H, F, Cl, Br and I) in bicyclo[3.3.3] and bicyclo[4.4.4] systems and their behaviour, elucidated with QTAIM dual functional analysis2024 · Natures of the symmetric and nonsymmetric Pn⋯X⁺⋯Pn σ(3c–4e) type interactions (Pn = N, P, As and Sb; X = H, F, Cl, Br and I) in bicyclo[3.3.3] and [4.4.4] systems are elucidated, after clarifying the stability, where X⁺ incorporated in the cage.
• Origin of 17O NMR chemical shifts based on molecular orbital theory: paramagnetic terms of the pre-α, α and β effects from orbital-to-orbital transitions, along with the effects from vinyl, carbonyl and carboxyl groups2024 · The plain rules founded in theory, other than the empirical rules, were established for the origin of δ(O) to understand the mechanisms to arise ¹⁷O NMR chemical shifts, based on the MO theory, where the pre-α, α and β effects were employed for the purpose, which were analyzed mainly by σ^p(O).
• Proposal of pseudo-intrinsic dynamic nature of interactions: simple methods to generate the perturbed structures and to analyze for the prediction of the nature of high reliability, with the applications2023 · Satoko Hayashi, Taro Nishide, Hikaru Matsuoka, Ryosuke Imanaka, Waro Nakanishi (担当区分： 筆頭著者, 最終著者, 責任著者 )

• 有機硫黄・セレン・テルル化合物の構造、反応性およびその物性に関する研究
• 複数のカルコゲン-ハロゲン原子からなる長鎖状結合をもつ化合物の合成とその物性
• 高いエネルギー効率を可能にする発光性ランタノイド錯体の合成
• 4個以上のカルコゲン原子による直線状結合をもつ化合物の合成とその物性

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