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Volumn 17, Issue 48, 2007, Pages 5032-5041

Origin of the large spectral shift in electroluminescence in a blue light emitting cationic iridium(III) complex

Author keywords

[No Author keywords available]

Indexed keywords

ELECTROCHEMICAL CELLS; ELECTROLUMINESCENCE; LIGHT EMISSION; PHOTOLUMINESCENCE; SYNTHESIS (CHEMICAL); WAVELENGTH;

EID: 36749092373     PISSN: 09599428     EISSN: 13645501     Source Type: Journal    
DOI: 10.1039/b713745a     Document Type: Article
Times cited : (164)

References (56)
  • 27
    • 84943009881 scopus 로고    scopus 로고
    • Geometry optimization of the lowest triplet states was achieved by imposing symmetry restrictions to the wavefunction. 3A restrictions led to the T2 state as the most stable state of this symmetry in accordance with TDDFT calculations (see Table 1). The T1 state was optimized by adopting 3B restrictions and starting from the optimized geometry of the 2B state of the anion, that also implies the population of the LUMO + 1. The T4 state was optimized by removing the C2 symmetry restriction and it was calculated to be 0.01 eV more stable than T1. It was not possible to localize the T3 (3B) state due to its large multiconfigurational character
    • Commision Internationale de l'Eclairage (CIE) 1931


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.