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Volumn 50, Issue 5, 2007, Pages 599-606

DFT and TDDFT investigations on the ground and excited states for polynuclear platinum(II) complexes containing the rigid phenylacetylide ligand

Author keywords

Dendritic platinum(II) complexes; DFT; Excited state; Luminescence; TDDFT

Indexed keywords

DENSITY FUNCTIONAL THEORY; EMISSION SPECTROSCOPY; GEOMETRY; GROUND STATE; LIGANDS; LUMINESCENCE; METAL COMPLEXES; PLATINUM;

EID: 34748851291     PISSN: 10069291     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11426-007-0090-0     Document Type: Article
Times cited : (3)

References (25)
  • 1
    • 0028218595 scopus 로고
    • Functional polymers and dendrimers: Reactivity molecular architecture, and interfacial energy
    • Fréchet J M J. Functional polymers and dendrimers: reactivity molecular architecture, and interfacial energy. Science, 1994, 263:1710-1715
    • (1994) Science , vol.263 , pp. 1710-1715
    • Fréchet, J.M.J.1
  • 2
    • 3743150592 scopus 로고    scopus 로고
    • Dendrimers in supramolecular chemistry: From molecular recognition to self-assembly
    • Zeng F W, Zimmerman S C. Dendrimers in supramolecular chemistry: from molecular recognition to self-assembly. Chem Rev, 1997, 97:1681-1712
    • (1997) Chem Rev , vol.97 , pp. 1681-1712
    • Zeng, F.W.1    Zimmerman, S.C.2
  • 3
    • 0041763687 scopus 로고    scopus 로고
    • Dendrimers containing heteroatoms (Si, P, B, Ge, or Bi)
    • Majoral J P, Caminade A M. Dendrimers containing heteroatoms (Si, P, B, Ge, or Bi). Chem Rev, 1999, 99: 845-880
    • (1999) Chem Rev , vol.99 , pp. 845-880
    • Majoral, J.P.1    Caminade, A.M.2
  • 4
    • 0242438740 scopus 로고    scopus 로고
    • Dendritic metalloporphyrins as catalysts for organic transformations
    • Che C M, Huang J S, Zhang J L. Dendritic metalloporphyrins as catalysts for organic transformations. C R Chimie, 2003, 6:1105-1115
    • (2003) C R Chimie , vol.6 , pp. 1105-1115
    • Che, C.M.1    Huang, J.S.2    Zhang, J.L.3
  • 5
    • 0000998863 scopus 로고    scopus 로고
    • Synthesis and characterization of organoplatinum dendrimers with 1,3,5-triethynylbenzene building blocks
    • Leininger S, Stang P J. Synthesis and characterization of organoplatinum dendrimers with 1,3,5-triethynylbenzene building blocks. Organometallics, 1998, 17: 3981-3987
    • (1998) Organometallics , vol.17 , pp. 3981-3987
    • Leininger, S.1    Stang, P.J.2
  • 7
    • 0002405110 scopus 로고
    • Soluble synthetic polymers as potential drug carriers
    • Duncan R, Kopecek J. Soluble synthetic polymers as potential drug carriers. Adv Polym Sci, 1984, 57: 51-101
    • (1984) Adv Polym Sci , vol.57 , pp. 51-101
    • Duncan, R.1    Kopecek, J.2
  • 8
    • 0000697349 scopus 로고    scopus 로고
    • Electrochemical and photochemical properties of metal-containing dendrimers
    • Venturi M, Serroni S, Juris A, Campagna S, Balzani V. Electrochemical and photochemical properties of metal-containing dendrimers. Top Curr Chem, 1998. 193-228
    • (1998) Top Curr Chem , pp. 193-228
    • Venturi, M.1    Serroni, S.2    Juris, A.3    Campagna, S.4    Balzani, V.5
  • 11
    • 16244362622 scopus 로고    scopus 로고
    • Computational and spectroscopic studies of Re(I) bipyridyl complexes containing 2,6-dimethylphenylisocyanide (CNx) ligand
    • Stoyanov S R, Villegas J M, Cruz A J, Lockyear L L, Reibenspies J H, Rillema D P. Computational and spectroscopic studies of Re(I) bipyridyl complexes containing 2,6-dimethylphenylisocyanide (CNx) ligand. J Chem Theory Comput, 2005, 1: 95-106
    • (2005) J Chem Theory Comput , vol.1 , pp. 95-106
    • Stoyanov, S.R.1    Villegas, J.M.2    Cruz, A.J.3    Lockyear, L.L.4    Reibenspies, J.H.5    Rillema, D.P.6
  • 12
    • 0034799711 scopus 로고    scopus 로고
    • Highly phosphorescent bis-cyclometalated iridium complexes: Synthesis, photophysical characterization, and use in organic Light Emitting Diodes
    • Lamansky S, Djurovich P, Murphy D. Abdel-Razzaq F, Lee H, Adachi C, Burrows P E, Forrest S R, Thompson M E. Highly phosphorescent bis-cyclometalated iridium complexes: synthesis, photophysical characterization, and use in organic Light Emitting Diodes. J Am Chem Soc, 2001, 123: 4304-4312
    • (2001) J Am Chem Soc , vol.123 , pp. 4304-4312
    • Lamansky, S.1    Djurovich, P.2    Murphy, D.3    Abdel-Razzaq, F.4    Lee, H.5    Adachi, C.6    Burrows, P.E.7    Forrest, S.R.8    Thompson, M.E.9
  • 13
    • 0000856387 scopus 로고    scopus 로고
    • Synthesis of organometallic dendrimers with a backbone composed of platinumacetylide units
    • Ohshiro N, Takei F, Onitsuka K, Takahashi S. Synthesis of organometallic dendrimers with a backbone composed of platinumacetylide units. J Organometallic Chem, 1998, 569: 195-202
    • (1998) J Organometallic Chem , vol.569 , pp. 195-202
    • Ohshiro, N.1    Takei, F.2    Onitsuka, K.3    Takahashi, S.4
  • 14
    • 0034743582 scopus 로고    scopus 로고
    • Synthesis and structural characterisation of luminescent di-and trinuclear palladium(II) acetylide complexes as building blocks for metallodendrimers
    • Yam V W W, Zhang L J, Tao C H, Wong K M C, Cheung K K. Synthesis and structural characterisation of luminescent di-and trinuclear palladium(II) acetylide complexes as building blocks for metallodendrimers. J Chem Soc, Dalton Trans, 2001. 1111-1116
    • (2001) J Chem Soc, Dalton Trans , pp. 1111-1116
    • Yam, V.W.W.1    Zhang, L.J.2    Tao, C.H.3    Wong, K.M.C.4    Cheung, K.K.5
  • 16
    • 6444221012 scopus 로고    scopus 로고
    • Luminescent heterometallic branched alkynyl complexes of rhenium(I)-palladium(II): Potential building blocks for heterometallic metallodendrimers
    • Chong S H F, Lam S C F, Yam V W W, Zhu N Y, Cheung K K. Luminescent heterometallic branched alkynyl complexes of rhenium(I)-palladium(II): potential building blocks for heterometallic metallodendrimers. Organometallics, 2004, 23: 4924-4933
    • (2004) Organometallics , vol.23 , pp. 4924-4933
    • Chong, S.H.F.1    Lam, S.C.F.2    Yam, V.W.W.3    Zhu, N.Y.4    Cheung, K.K.5
  • 17
    • 0034850555 scopus 로고    scopus 로고
    • Molecular orbital study of the first excited state of the OLED material tris(8-hydroxyquinoline)aluminum(III)
    • Halls M D, Schlegel H B. Molecular orbital study of the first excited state of the OLED material tris(8-hydroxyquinoline)aluminum(III). Chem Mater, 2003, 13: 2632-2640
    • (2003) Chem Mater , vol.13 , pp. 2632-2640
    • Halls, M.D.1    Schlegel, H.B.2
  • 18
    • 0038596731 scopus 로고
    • Results obtained with the correlation energy density functionals of Becke and Lee-Yang and Parr
    • Miehlich B, Savin A, Preuss H. Results obtained with the correlation energy density functionals of Becke and Lee-Yang and Parr. Chem Phys Lett, 1989, 157: 200-206
    • (1989) Chem Phys Lett , vol.157 , pp. 200-206
    • Miehlich, B.1    Savin, A.2    Preuss, H.3
  • 19
    • 0035942882 scopus 로고    scopus 로고
    • Time-dependent density functional theory calculations of photoabsorption spectra in the vacuum ultraviolet region
    • Matsuzawa N N, Ishitani A. Time-dependent density functional theory calculations of photoabsorption spectra in the vacuum ultraviolet region. J Phys Chem A, 2001, 105: 4953-4962
    • (2001) J Phys Chem A , vol.105 , pp. 4953-4962
    • Matsuzawa, N.N.1    Ishitani, A.2
  • 20
    • 84961981991 scopus 로고    scopus 로고
    • A new definition of cavities for the computation of solvation free energies by the polarizable continuum model
    • Barone V, Cossi M. A new definition of cavities for the computation of solvation free energies by the polarizable continuum model. J Chem Phys, 1997, 107: 3210-3221
    • (1997) J Chem Phys , vol.107 , pp. 3210-3221
    • Barone, V.1    Cossi, M.2
  • 21
    • 0006073669 scopus 로고
    • Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi
    • Wadt W R, Hay P J. Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi. J Chem Phys, 1985, 82: 284-298
    • (1985) J Chem Phys , vol.82 , pp. 284-298
    • Wadt, W.R.1    Hay, P.J.2
  • 22
    • 27344448074 scopus 로고
    • Ab initio effective core potentials for molecular calculations. Potentials for main group elements K to Au including the outermost core orbitals
    • Hay P J, Wadt W R. Ab initio effective core potentials for molecular calculations. Potentials for main group elements K to Au including the outermost core orbitals. J Chem Phys, 1985, 82: 299-310
    • (1985) J Chem Phys , vol.82 , pp. 299-310
    • Hay, P.J.1    Wadt, W.R.2
  • 24
    • 0141704726 scopus 로고    scopus 로고
    • Gaussian, Inc.: Pittsburgh, PA
    • Gaussian 03: Revision B.03. Gaussian, Inc.: Pittsburgh, PA. 2003
    • (2003) Gaussian 03: Revision B.03


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.