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Volumn 133, Issue 16, 2011, Pages 6206-6222

The surface trans effect: Influence of axial ligands on the surface chemical bonds of adsorbed metalloporphyrins

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBED MOLECULES; AG(111) SURFACE; AXIAL LIGAND; COMPETITION EFFECTS; COVALENT CHARACTER; METAL CENTERS; METAL SURFACES; METALLOPORPHYRINS; MODEL SYSTEM; MUTUAL INTERFERENCE; NITROSYL COMPLEX; OXIDATION STATE; PARTIAL REDUCTION; SENSOR TECHNOLOGIES; SPECTROSCOPIC FEATURES; SPIN STATE; SURFACE CHEMICALS; TETRAPHENYLPORPHYRINS; TRANS EFFECT; TUNNELING SPECTRA; VALENCE STATE;

EID: 79955039922     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja1093502     Document Type: Article
Times cited : (209)

References (120)
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    • The bader program by;;, version 0.27a, has been used to perform the partial charge analysis
    • The bader program by Arnaldsson, A.; Tang, W.;; Henkelman, G.;, version 0.27a, has been used to perform the partial charge analysis; http://theory.cm.utexas.edu/vtsttools/bader.
    • Arnaldsson, A.1    Tang, W.2    Henkelman, G.3
  • 77
    • 0002652776 scopus 로고    scopus 로고
    • Due to a spin equilibrium, fractions of the Fe ions may exist in a singlet state (cf.;; In;;;, Eds.; Academic Press: San Diego,; Vol., p
    • Due to a spin equilibrium, fractions of the Fe ions may exist in a singlet state (cf. Lecomte, C.; Rohmer, M.-M.; Benard, M. In The Porphyrin Handbook; Kadish, K. M.; Smith, K. M.; Guilard, R., Eds.; Academic Press: San Diego, 2000; Vol. 7, p 39
    • (2000) The Porphyrin Handbook , vol.7 , pp. 39
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  • 83
    • 79955040993 scopus 로고    scopus 로고
    • Note that the distance between the Fe ion and the Ag surface may be different for FePc and FeTPP, because the peripheral phenyl groups of FeTPP act as spacer groups, cf. ref 31. This would also influence the magnitude of the ion-surface interaction
    • Note that the distance between the Fe ion and the Ag surface may be different for FePc and FeTPP, because the peripheral phenyl groups of FeTPP act as spacer groups, cf. ref 31. This would also influence the magnitude of the ion-surface interaction.
  • 95
  • 108
    • 79955010212 scopus 로고    scopus 로고
    • It appears to the alert reader that we construct four molecular orbitals from only three fragment orbitals here. Please note, however, that other fragments orbitals (e.g., from the porphyrin ligand) also mix in to these orbitals but are not shown for simplicity. The orbitals we show here are those which bear a major contribution from the relevant fragment orbitals which are included in the analysis
    • It appears to the alert reader that we construct four molecular orbitals from only three fragment orbitals here. Please note, however, that other fragments orbitals (e.g., from the porphyrin ligand) also mix in to these orbitals but are not shown for simplicity. The orbitals we show here are those which bear a major contribution from the relevant fragment orbitals which are included in the analysis.
  • 109
    • 79955026750 scopus 로고    scopus 로고
    • 72 cluster, the distance discussed corresponds to the distance between the Co atom and the plane defined by the three adjacent Ag atoms confining the hollow site
    • 72 cluster, the distance discussed corresponds to the distance between the Co atom and the plane defined by the three adjacent Ag atoms confining the hollow site.
  • 119
    • 79955009562 scopus 로고    scopus 로고
    • Low-valent group 14 metal containing ligands: Versatile building blocks for the synthesis of transition metal complexes; PhD Thesis: Saarbrücken
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    • (2007)
    • Laurent, A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.