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Volumn 2, Issue 1, 2005, Pages 45-55

Design and analysis of a molecular tool for carbon transfer in mechanosynthesis

Author keywords

Diamond; Graphene; Graphite; Mechanosynthesis; Molecular manufacturing; Nanotechnology; Nanotube; Productive nanosystems; Quantum chemistry

Indexed keywords

BINDING ENERGY; CARBON; COMPUTATIONAL METHODS; DIAMONDS; GRAPHITE; HYDROCARBONS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; NANOTUBES; OPTIMIZATION; PHYSICAL CHEMISTRY; RELIABILITY;

EID: 20444412262     PISSN: 15461955     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (19)

References (44)
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    • note
    • Density functional theory (DFT) calculations were performed with the PC-GAMESS version of the GAMESS-US quantum chemistry package.
  • 33
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    • 3.7]dec-3(7)-ene, a molecule with a somewhat reduced calculated alkene pyramidalization relative to the calculated DC10c structure (approximately 45.7°) that has undergone spectroscopic characterization by matrix isolation
    • 3,7] dec-3(7)-ene, a molecule with a somewhat reduced calculated alkene pyramidalization relative to the calculated DC10c structure (approximately 45.7°) that has undergone spectroscopic characterization by matrix isolation
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  • 34
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    • The demonstration of reactive-molecule persistence for spectroscopic characterization in matrix isolation studies is consistent with the general scope of machine-phase mechanosynthesis, where reactivity between moieties occurs only with the availability of other reactants (or workspaces) and unwanted side-reactivity between components can be removed by design
    • T. K. Yin, F. Miyake, G. E. Renzoni, W. T Borden, J. G. Radziszewski, and J. Michl, J. Am. Chem. Soc. 108, 3544 (1986)]. The demonstration of reactive-molecule persistence for spectroscopic characterization in matrix isolation studies is consistent with the general scope of machine-phase mechanosynthesis, where reactivity between moieties occurs only with the availability of other reactants (or workspaces) and unwanted side-reactivity between components can be removed by design.
    • (1986) J. Am. Chem. Soc. , vol.108 , pp. 3544
    • Yin, T.K.1    Miyake, F.2    Renzoni, G.E.3    Borden, W.T.4    Radziszewski, J.G.5    Michl, J.6
  • 35
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    • Ortho-cyclohexyne and ortho-cycloheptyne cannot be isolated as single molecules due to their high reactivity. While the isolated molecule is highly reactive (as expected from significant angle strain and as utilized in the proposed dimer tool design), metal coordination has been shown to generate complexes suitable for crystallographic characterization. See, for example
    • Ortho-cyclohexyne and ortho-cycloheptyne cannot be isolated as single molecules due to their high reactivity. While the isolated molecule is highly reactive (as expected from significant angle strain and as utilized in the proposed dimer tool design), metal coordination has been shown to generate complexes suitable for crystallographic characterization. See, for example, S. L. Buchwald, R. T. Lum, and J. C. Dewan, J. Am. Chem. Soc. 108, 7441 (1986)
    • (1986) J. Am. Chem. Soc. , vol.108 , pp. 7441
    • Buchwald, S.L.1    Lum, R.T.2    Dewan, J.C.3
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    • note
    • To calculate a transition energy between structures (1) and (10), the dimer and a π-bond (bond [1] in Fig. 4) were moved toward one another, maintaining parallelism but allowing optimization of both bond lengths, and of the rest of the structure. The resulting transition breaks two σ-bonds (at position [2] in Fig. 4) and encounters a high barrier (>0.4 aJ ≈ 60 kcal/mol).
  • 38
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    • -24 at 300 K.
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    • Toward Integrated Nanosystems: Fundamental issues in design and modeling
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    • K. E. Drexler, Toward Integrated Nanosystems: Fundamental issues in design and modeling, in Handbook of Computational and Theoretical Nanotechnology, Michael Rieth and Wolfram Schommers, eds., American Scientific Publishers (in press).
    • Handbook of Computational and Theoretical Nanotechnology
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.