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Theoretical Approach to Structural Issues of Heavy Main-Group Element Compounds

Research Project

Project/Area Number 22550028
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Organic chemistry
Research InstitutionTohoku University

Principal Investigator

KIRA Mitsuo  東北大学, 大学院・理学研究科, 名誉教授 (40004452)

Project Period (FY) 2010 – 2012
Project Status Completed (Fiscal Year 2012)
Budget Amount *help
¥3,380,000 (Direct Cost: ¥2,600,000、Indirect Cost: ¥780,000)
Fiscal Year 2012: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2011: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2010: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Keywords高周期典型元素化学 / π-σ* 軌道混合 / ビシクロブタン / 高周期14族元素化合物 / DFT計算 / ジシレン / ジゲルメン / π-σ^*混合モデル / 密度汎関数法 / 高周期典型元素 / ビシクロ[1.1.0]テトラシラン / 結合長異性体
Research Abstract

Heavier group-14 elements like silicon and germanium form the same types of compounds with carbon but bonding and structural features of the former are often very different from those of the latter. In this study, unresolved issues in silicon structural chemistry are elucidated using qualitative MO theory and DFT calculations as tools. To get closer to the goal of constructing a new qualitative theory that is applicable to structural issues of heavier main-group element chemistry, several useful fundamentals were obtained during the present study.

Report

(4 results)
  • 2012 Annual Research Report   Final Research Report ( PDF )
  • 2011 Annual Research Report
  • 2010 Annual Research Report
  • Research Products

    (31 results)

All 2012 2011 2010 Other

All Journal Article (10 results) (of which Peer Reviewed: 10 results) Presentation (18 results) (of which Invited: 2 results) Remarks (3 results)

  • [Journal Article] Bonding and structure of disilenes and related unsaturated group-14 element compounds2012

    • Author(s)
      Kira, M.
    • Journal Title

      Proceedings of the Japan Academy, Series B

      Volume: 88 Issue: 5 Pages: 167-191

    • DOI

      10.2183/pjab.88.167

    • NAID

      130001924744

    • ISSN
      0386-2208, 1349-2896
    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Reactions of a Stable Dialkylsilylene and Their Mechanisms2012

    • Author(s)
      Kira, M
    • Journal Title

      J. Chem. Sci

      Volume: 124 (6) Issue: 6 Pages: 1205-1215

    • DOI

      10.1007/s12039-012-0318-1

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] New Isolable Dialkylsilylene and its Isolable Dimer That Equilibrate in Solution2012

    • Author(s)
      Abe, T
    • Journal Title

      Journal of the American Chemical Society

      Volume: 134 Issue: 49 Pages: 20029-20032

    • DOI

      10.1021/ja310391m

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Distortion Modes of Heavy Ethylenes and Their Anions: π-σ* Orbital Mixing Model2011

    • Author(s)
      Kira, M
    • Journal Title

      Organometallics

      Volume: 30 (16) Issue: 16 Pages: 4459-4465

    • DOI

      10.1021/om200609d

    • Related Report
      2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Addition of a Stable Dialkylsilylene to Carbon-Carbon Unsaturated Bonds2011

    • Author(s)
      石田真太郎
    • Journal Title

      Heteroat.Chem.

      Volume: 22 Pages: 432-437

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Structure and Reactions of an Isolable Ge=Si Doubly Bonded Compound, Tetra(t-butyldimethylsilyl) germasilene2011

    • Author(s)
      岩本武明
    • Journal Title

      Silicon

      Volume: 2 Issue: 4 Pages: 209-216

    • DOI

      10.1007/s12633-011-9069-8

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] An isolable dialkylsilylene and itsderivatives. A step toward comprehension of heavy unsaturated bonds2010

    • Author(s)
      Kira, M
    • Journal Title

      Chem. Commun. (Feature Article)

      Volume: 46 (17) Issue: 17 Pages: 2893-2903

    • DOI

      10.1039/c002806a

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Synthesis and structures of (dialkylsilylene) bis (phosphine)-nickel, palladium, and platinum complexes and (η^6-arene) (dialkylsilylene) nickel complexes2010

    • Author(s)
      渡辺千恵子
    • Journal Title

      Dalton Trans.

      Pages: 9414-9420

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Reactions of an Isolable Dialkylsilylene with Ketones2010

    • Author(s)
      石田真太郎
    • Journal Title

      Organometallics

      Volume: 29 Pages: 5526-5534

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Nanocrystalhzation of Oligosilanes by a Reprecipitation Method : Easy Fabrication of H-Aggregates of Linear-Chain Oligosilane Molecules2010

    • Author(s)
      森田悠紀
    • Journal Title

      Chem.Commun.

      Volume: 47 Pages: 2315-2317

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Presentation] Role of pi-sigma* Orbital Mixing in Silicon Bonding2012

    • Author(s)
      Kira, M
    • Organizer
      4th Asian Silicon Symposium (招待)
    • Place of Presentation
      Tsukuba
    • Year and Date
      2012-10-23
    • Related Report
      2012 Final Research Report
  • [Presentation] Mechanistic Aspects of Reactions of an Isolable Silylene2012

    • Author(s)
      Kira, M
    • Organizer
      44th Silicon Symposium (招待)
    • Place of Presentation
      St. Catharines, Ontario, Canada
    • Year and Date
      2012-06-15
    • Related Report
      2012 Final Research Report
  • [Presentation] Trisilaallene and Related Heavy Allenes: Synthesis and Unusual Structure and Bonding2012

    • Author(s)
      Kira, M.
    • Organizer
      American Chemical Society,243th Annual Meeting (招待)
    • Place of Presentation
      San Diego,USA
    • Year and Date
      2012-03-26
    • Related Report
      2012 Final Research Report
  • [Presentation] Trisilaallene and Related Heavy Allenes : Synthesis and Unusual Structure and Bonding2012

    • Author(s)
      吉良満夫
    • Organizer
      2012年米国化学会春季年会
    • Place of Presentation
      San Diego, USA
    • Year and Date
      2012-03-26
    • Related Report
      2011 Annual Research Report
  • [Presentation] Mechanistic Aspects of Reactions of an Isolable Silylene2012

    • Author(s)
      Mitsuo Kira
    • Organizer
      44th Silicon Symposium
    • Place of Presentation
      St. Catharines, Ontario, Canada
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Role of pi-sigma* Orbital Mixing in Silicon Bonding2012

    • Author(s)
      Mitsuo Kira
    • Organizer
      4th Asian Silicon Symposium
    • Place of Presentation
      つくば国際会議場
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Reactions of a StableDialkylsilylene and Their Mechanisms2011

    • Author(s)
      Kira, M
    • Organizer
      第14回 Modern Trends in Inorganic Chemistry(招待)
    • Place of Presentation
      Hyderabad, India
    • Year and Date
      2011-12-12
    • Related Report
      2012 Final Research Report
  • [Presentation] Reactions of a Stable Dialkylsilylene and Their Mechanisms2011

    • Author(s)
      吉良満夫
    • Organizer
      第14回現代傾向無機化学シンポジウム
    • Place of Presentation
      Hyderabad, India
    • Year and Date
      2011-12-12
    • Related Report
      2011 Annual Research Report
  • [Presentation] New Developments of Unsaturated Silicon Chemistry2011

    • Author(s)
      Kira, M
    • Organizer
      第16回 International Symposium on Silicon Chemistry (招待)
    • Place of Presentation
      Hamilton, Canada
    • Year and Date
      2011-08-18
    • Related Report
      2012 Final Research Report
  • [Presentation] New Developments of Unsaturated Silicon Chemistry2011

    • Author(s)
      吉良満夫
    • Organizer
      第16回ケイ素化学国際会議
    • Place of Presentation
      Hamilton, Canada
    • Year and Date
      2011-08-18
    • Related Report
      2011 Annual Research Report
  • [Presentation] Bonding Model for Bent HeavyAllenes2010

    • Author(s)
      Kira, M
    • Organizer
      Pacifichem 2010
    • Place of Presentation
      Honolulu, USA
    • Year and Date
      2010-12-17
    • Related Report
      2012 Final Research Report
  • [Presentation] Bonding Model for Bent Heavy Allenes2010

    • Author(s)
      吉良満夫
    • Organizer
      Pacifichem 2010
    • Place of Presentation
      Honolulu, USA
    • Year and Date
      2010-12-17
    • Related Report
      2010 Annual Research Report
  • [Presentation] 安定シリレンからトリシラアレンへ2010

    • Author(s)
      吉良満夫
    • Organizer
      第14回ケイ素化学協会シンポジウム(招待)
    • Place of Presentation
      湯河原
    • Year and Date
      2010-11-20
    • Related Report
      2012 Final Research Report
  • [Presentation] 安定シリレンからトリシラアレンヘ2010

    • Author(s)
      吉良満夫
    • Organizer
      第14回ケイ素化学協会シンポジウム(招待)
    • Place of Presentation
      St.Louis, USA
    • Year and Date
      2010-11-20
    • Related Report
      2010 Annual Research Report
  • [Presentation] DFT Studies on the Reaction Mechanisms of Silylenes with Hydrosilanes, Chlorosilanes, and 1,3-Butadienes2010

    • Author(s)
      Kira, M
    • Organizer
      第3回Asian Silicon Symposium (招待)
    • Place of Presentation
      Hangzhou, China
    • Year and Date
      2010-10-18
    • Related Report
      2012 Final Research Report
  • [Presentation] DFT Studies on the Reaction Mechanisms of Silylenes with Hydrosilanes, Chlorosilanes, and 1,3-Butadienes2010

    • Author(s)
      吉良満夫
    • Organizer
      第3回Asian Silicon Symposium(招待)
    • Place of Presentation
      Hangzhou, China
    • Year and Date
      2010-10-18
    • Related Report
      2010 Annual Research Report
  • [Presentation] シリレンのブタジエンへの付加の選択制に関する理論計算2010

    • Author(s)
      吉良満夫
    • Organizer
      第21回基礎有機化学討論会
    • Place of Presentation
      名古屋大学(名古屋)
    • Year and Date
      2010-09-09
    • Related Report
      2010 Annual Research Report
  • [Presentation] Ohgin of Unusual Bonding and Structure of Trisilaallene2010

    • Author(s)
      吉良満夫
    • Organizer
      第43回Silicon Symposium
    • Place of Presentation
      St.Louis, USA
    • Year and Date
      2010-05-21
    • Related Report
      2010 Annual Research Report
  • [Remarks]

    • URL

      http://www.ssoc.chem.tohoku.ac.jp/mkira/index.html

    • Related Report
      2012 Final Research Report
  • [Remarks] 2012年米国化学会F.S.Kipping賞受賞

    • URL

      http://www.ssoc.chem.tohoku.ac.jp/mkira/index.html

    • Related Report
      2011 Annual Research Report
  • [Remarks]

    • URL

      http://www.ssoc.chem.tohoku.ac.jp/mkira/index.html

    • Related Report
      2010 Annual Research Report

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Published: 2010-08-23   Modified: 2019-07-29  

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