메뉴 건너뛰기




Volumn 52, Issue 1, 2013, Pages 320-324

Charge delocalization induces reaction in molecular chains at a surface

Author keywords

Density functional calculations; Electron induced reactions; Molecular dynamics; S S bonds; Scanning probe microscopy

Indexed keywords

AU(1 1 1 ); CHARGE DELOCALIZATION; DIMETHYL DISULFIDES; ELECTRON INDUCED REACTIONS; MOLECULAR CHAINS; S-S BONDS; SELF-ASSEMBLED; THIYL RADICALS;

EID: 84871975450     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201207819     Document Type: Article
Times cited : (24)

References (32)
  • 10
    • 0037461521 scopus 로고    scopus 로고
    • W. Ho, J. Chem. Phys. 2002, 117, 11033-11061.
    • (2002) J. Chem. Phys. , vol.117 , pp. 11033-11061
    • Ho, W.1
  • 28
    • 84871955093 scopus 로고    scopus 로고
    • [14]. Figure 1 panel A (monomer)and B (dimer), namely with the C-S bond pointing outward away from S-S. However, Maksymovych et al. showed a different configuration of thiyl in Ref. [14], Figure 1, panel C (tetramer); C-S was pointing inward toward S-S. We believe this different thiyl alignment was selected unintentionally, since the experimental STM images for the molecular chains did not clearly reveal the alignment of the terminal thiyl. The alignment of thiyl product computed in our work was found to be unchanged in going from monomer, to dimer, to trimer, and to tetramer, with C-S pointing outward away from S-S. We show this calculated C-S bond alignment in our Figure 1, in agreement with Maksymovych Figures 1A and B in Ref. [14]
    • [14]. Figure 1 panel A (monomer)and B (dimer), namely with the C-S bond pointing outward away from S-S. However, Maksymovych et al. showed a different configuration of thiyl in Ref. [14], Figure 1, panel C (tetramer); C-S was pointing inward toward S-S. We believe this different thiyl alignment was selected unintentionally, since the experimental STM images for the molecular chains did not clearly reveal the alignment of the terminal thiyl. The alignment of thiyl product computed in our work was found to be unchanged in going from monomer, to dimer, to trimer, and to tetramer, with C-S pointing outward away from S-S. We show this calculated C-S bond alignment in our Figure 1, in agreement with Maksymovych Figures 1A and B in Ref. [14].
  • 31
    • 84864742233 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2012, 51, 8003-8007.
    • (2012) Angew. Chem. Int. Ed. , vol.51 , pp. 8003-8007
  • 32
    • 0004209464 scopus 로고    scopus 로고
    • Gaussian 09, Revision A02. Wallingford CT
    • Gaussian 09, Revision A02. M. J. Frisch, et al., Gaussian Inc., Wallingford CT, 2009.
    • (2009) Gaussian Inc.
    • Frisch, M.J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.