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Volumn 129, Issue 36, 2007, Pages 11279-11285

Conformational adaptation and selective adatom capturing of tetrapyridyl-porphyrin molecules on a copper (111) surface

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION GEOMETRY; CHARGE DENSITY CALCULATIONS; CONFORMATIONAL ADAPTATION;

EID: 34548722165     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja071572n     Document Type: Article
Times cited : (120)

References (87)
  • 4
    • 0031232824 scopus 로고    scopus 로고
    • (a) Forrest, S. R. Chem. Rev. 1997, 97, 1793-1896.
    • (1997) Chem. Rev , vol.97 , pp. 1793-1896
    • Forrest, S.R.1
  • 27
    • 0004214293 scopus 로고
    • Dolphin, D, Ed, Academic: New York
    • (a) The Porphyrins; Dolphin, D., Ed.; Academic: New York, 1978.
    • (1978) The Porphyrins
  • 60
    • 34548734451 scopus 로고    scopus 로고
    • Molecules embedded in between neighbors exhibit the same appearance as isolated molecules in the STM data
    • Molecules embedded in between neighbors exhibit the same appearance as isolated molecules in the STM data.
  • 71
    • 34548734450 scopus 로고    scopus 로고
    • The error bar for all the angles determined by NEXAFS amounts to ±10°.
    • The error bar for all the angles determined by NEXAFS amounts to ±10°.
  • 72
    • 34548777838 scopus 로고    scopus 로고
    • Here, the macrocycle plane is defined by the four meso-carbon atoms. This description holds also in the case of a saddle-shaped distortion of the porphyrin core
    • Here, the macrocycle plane is defined by the four meso-carbon atoms. This description holds also in the case of a saddle-shaped distortion of the porphyrin core.
  • 73
    • 34548763525 scopus 로고    scopus 로고
    • Including lower lying occupied molecular orbitals did not significantly improve the simulated appearance
    • Including lower lying occupied molecular orbitals did not significantly improve the simulated appearance.
  • 74
    • 34548761659 scopus 로고    scopus 로고
    • The saddle-shape and, in particular, the angles p in Figure 4, parts b and c, are obtained by optimizing the geometry of the porphyrin macrocycle by the MM+ procedure complying with the constraints given by the pyridyl conformation.
    • The saddle-shape and, in particular, the angles p in Figure 4, parts b and c, are obtained by optimizing the geometry of the porphyrin macrocycle by the MM+ procedure complying with the constraints given by the pyridyl conformation.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.