Organic Orbital Theory-Fundamentals and Applications

有机轨道理论-基础与应用

• 批准号: 08304036
• 负责人: TOMODA Shuji
• 金额: --
• 依托单位: The University of Tokyo
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (B)
• 财政年份: 1996
• 资助国家: 日本
• 起止时间: 1996 至 无数据
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-08304036/
• 关键词: Frontier Orbital Theory; Organic Orbital Theory; Quantum Organic Chemistry; Quantum Chemistry; Molecular Orbital Theory

This research proposal was intended to organize for the first time a combined academic group of Japanese experimental and theoretical organic chemisis, who are interested in research related to organic orbital theory. The group consists mostly of the members of Quantum Organic Chemist's Association (QOCA ; Chairman : Hiroshi Fujimoto ; Secretary Genetal : Shuji Tomoda) whose aim is directed toward the discovery of novel theories and concepts in the field of physical organic chemictry.The group had two meetings and one public symposium during this fiscal year. The first meeting was held on July 29,1996 at Gifu University. The second meeting was planned immediately after belated notice from the Ministry in early October. Since this notice was unexpected and none of us had not been prepared for it, the meeting was held in Kyoto on January 25,1997, the next day of the 2nd Quantum Organic Chemistry Symposium, which had been planned to be held in Kyoto under the auspices of QOCA.The two meetings were very useful for the members in that they provided valuable chances to us experimental or theoretical chemists to stimulate each other. The 2nd Quentum Organic Chemistry Symposium was open to the chemists outside QOCA.Ninety three chemists attended, which seemed show the bright future of QOCA.Our country has accumulated tremendous amount of academic fortune in the history of organic quantum chemistry. The most representative one is Fukui's frontier orbital theory. The fortune must be succeeded and develped to create a new, simple, convenient and widely applicable organic orbital concepts in the field of organic chemistry to further stimulate industrial R & D and educational efficiency in organic chemistry.

该研究计划旨在首次组织日本实验和理论有机化学的联合学术团体，他们对有机轨道理论的研究感兴趣。该小组主要由以发现物理有机化学领域的新理论和新概念为目标的量子有机化学家协会（QOCA ;主席：藤本弘;秘书长：友田智史）的成员组成。在本财政年度，该小组举行了两次会议和一次公开研讨会。第一次会议于1996年7月29日在岐阜大学举行。10月初，在外交部迟来的通知之后，立即计划举行第二次会议。由于这一通知出乎我们的意料，而且大家都没有做好准备，所以会议于1997年1月25日在京都举行，这是QOCA计划在京都主办的第二届量子有机化学研讨会的第二天，这两次会议对成员们来说非常有用，因为它们为我们实验或理论化学家提供了相互激励的宝贵机会。第二届Quentum有机化学研讨会向QOCA以外的化学家开放，有93位化学家参加，这似乎预示着QOCA的光明前景，我国在有机量子化学史上积累了大量的学术财富。其中最具代表性的是福井的前沿轨道理论。我们必须继承和发展这一财富，在有机化学领域创造一种新的、简单、方便和广泛适用的有机轨道概念，以进一步促进有机化学的工业研发和教育效率。

项目成果

S.Tomoda: "Nature of the Intramolecular Se…N Nonbonded. Interation of 2-Selenobenzylamine Derivatives." J.Am.Chem.Soc.118・34. 8077-8084 (1996)

S. Tomoda：“分子内 Se…N 非键合的性质。2-硒代苄胺衍生物的相互作用。”J.Am.Chem.Soc.118・34（1996）。

S.Inagaki: "Geminal Delocalization of 5-Electrons and Inverted Tetrahedral Configurations of the Bridged Carbons." J.Phys. Chem.100. 9615-9618 (1996)

S.Inagaki：“5 电子的孪生离域化和桥碳的倒四面体构型。”

H.Fujimoto: "Mechanisms of the Cycloaddition Reaction of Methylene-cyclopropane-Palladium and Oxa-and Azatrimethyl." Inorg.Chem.35・1. 231-238 (1996)

H.Fujimoto：“亚甲基-环丙烷-钯与 Oxa-和氮杂三甲基的环加成反应的机理。Inorg.Chem.35・1 (1996)”

M.Iwaoka, S.Tomoda: "Nature of the Intramolecular Se...N Non-bonded Interraction of 2-Selnobenzylamine Derivatives." J.Am. Chem. Soc.118. 8077-8084 (1996)

M.Iwaoka、S.Tomoda：“2-Selnobenzylamine 衍生物的分子内 Se...N 非键相互作用的性质。”

S.Yamabe: "Ketene is a Dienophile for [4+2](Diels-Alder) Reactions scross Its c=o Bond" J.Am. Chem. Soc.118. 6518-6519 (1996)

S.Yamabe：“乙烯酮是 [4 2](Diels-Alder) 反应跨越其 c=o 键的亲双烯体”J.Am.