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Volumn 111, Issue 49, 2007, Pages 12570-12576

Structure, vibrations and raman modes in electron doped metal phthalocyanines

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; CHARGED PARTICLES; DENSITY FUNCTIONAL THEORY; ELECTRON ABSORPTION; MOLECULAR STRUCTURE; RAMAN SCATTERING;

EID: 38049120456     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp075944q     Document Type: Article
Times cited : (10)

References (40)
  • 2
    • 38049181286 scopus 로고    scopus 로고
    • Craciun, M. F.; Rogge, S.; Wismeijer, D. A.; den Boer, M. J. L.; Klapwijk, T. M.; Morpurgo, A. F. In Proceedings of the 12th International Conference on Scanning and Tunneling Microscopy/Spectroscopy and Related Techniques; Koenraad, P. M., Kemerink, M., Eds.; AIP Conference Proceedings; AIP: Woodbury, NY, 2003; No. 696, p 489.
    • Craciun, M. F.; Rogge, S.; Wismeijer, D. A.; den Boer, M. J. L.; Klapwijk, T. M.; Morpurgo, A. F. In Proceedings of the 12th International Conference on Scanning and Tunneling Microscopy/Spectroscopy and Related Techniques; Koenraad, P. M., Kemerink, M., Eds.; AIP Conference Proceedings; AIP: Woodbury, NY, 2003; No. 696, p 489.
  • 5
    • 38049100964 scopus 로고    scopus 로고
    • In addition, in the transition metal MPcs examined by Craciun et al, the chemical potential must be in equilibrium with a partly filled metal d-level. Strongly localized, this orbital should possess a much larger onsite Coulomb repulsion and must constitute a nontrivial magnetic complication, which is absent in MgPc. The interplay of metallic conduction in the LUMO with the localized d-level will no doubt generate future interest in transition metal MPcs as mixed valent systems with either double exchange or Kondo intramolecular couplings
    • In addition, in the transition metal MPcs examined by Craciun et al., the chemical potential must be in equilibrium with a partly filled metal d-level. Strongly localized, this orbital should possess a much larger onsite Coulomb repulsion and must constitute a nontrivial magnetic complication, which is absent in MgPc. The interplay of metallic conduction in the LUMO with the localized d-level will no doubt generate future interest in transition metal MPcs as mixed valent systems with either double exchange or Kondo intramolecular couplings.
  • 7
    • 38049105435 scopus 로고    scopus 로고
    • so that the pristine parent insulators themselves constitute single-band Mott -Hubbard insulators
    • 4 so that the pristine parent insulators themselves constitute single-band Mott -Hubbard insulators.
    • CoPc, and CuPc are open shell molecules , vol.4
    • MnPc, F.1
  • 21
    • 38049100963 scopus 로고    scopus 로고
    • Adittional data not published in this paper can be found in the Supporting Information.
    • Adittional data not published in this paper can be found in the Supporting Information.
  • 28
    • 0004015037 scopus 로고
    • See, for example:, McGraw-Hill: New York
    • See, for example: Long, D. A. Raman Spectroscopy; McGraw-Hill: New York, 1977.
    • (1977) Raman Spectroscopy
    • Long, D.A.1
  • 37
    • 38049188167 scopus 로고    scopus 로고
    • We note that besides the distortion induced b3g↑-b 2g↑ splitting of 126 meV, there is also an exchange splitting of 149 meV for the b3g level and of 49 meV for the b2g level. There are also spin splittings of smaller magnitude of all other occupied states
    • 2g level. There are also spin splittings of smaller magnitude of all other occupied states.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.