메뉴 건너뛰기




Volumn 118, Issue 34, 2014, Pages 6914-6921

Optical properties of 4-bromobenzaldehyde derivatives in chloroform solution

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; LIGHT EMISSION; MOLECULAR ORBITALS; OPTICAL PROPERTIES; PHOSPHORESCENCE;

EID: 84906842390     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp505411r     Document Type: Article
Times cited : (3)

References (47)
  • 1
    • 75649084153 scopus 로고    scopus 로고
    • Color Control in Î -Conjugated Organic Polymers for Use in Electrochromic Devices
    • Beaujuge, P. M.; Reynolds, J. R. Color Control in Î -Conjugated Organic Polymers for Use in Electrochromic Devices Chem. Rev. 2010, 110 (1) 268-320
    • (2010) Chem. Rev. , vol.110 , Issue.1 , pp. 268-320
    • Beaujuge, P.M.1    Reynolds, J.R.2
  • 2
    • 34248326379 scopus 로고    scopus 로고
    • Introduction: Organic Electronics and Optoelectronics
    • Forrest, S. R.; Thompson, M. E. Introduction: Organic Electronics and Optoelectronics Chem. Rev. 2007, 107 (4) 923-925
    • (2007) Chem. Rev. , vol.107 , Issue.4 , pp. 923-925
    • Forrest, S.R.1    Thompson, M.E.2
  • 3
    • 84875870272 scopus 로고    scopus 로고
    • Organic Electronics
    • McCulloch, I. Organic Electronics Adv. Mater. 2013, 25 (13) 1811-1812
    • (2013) Adv. Mater. , vol.25 , Issue.13 , pp. 1811-1812
    • McCulloch, I.1
  • 4
    • 84859570118 scopus 로고    scopus 로고
    • Themed Issue on "organic Optoelectronic Materials"
    • Hu, W.; Bao, Z.; Muellen, K. Themed Issue on "Organic Optoelectronic Materials" J. Mater. Chem. 2012, 22 (10) 4134-4135
    • (2012) J. Mater. Chem. , vol.22 , Issue.10 , pp. 4134-4135
    • Hu, W.1    Bao, Z.2    Muellen, K.3
  • 5
    • 84882366243 scopus 로고    scopus 로고
    • Organic and Hybrid Materials for Flexible Electronics
    • Caironi, M.; Anthopoulos, T. D.; Noh, Y.-Y.; Zaumseil, J. Organic and Hybrid Materials for Flexible Electronics Adv. Mater. 2013, 25 (31) 4208-4209
    • (2013) Adv. Mater. , vol.25 , Issue.31 , pp. 4208-4209
    • Caironi, M.1    Anthopoulos, T.D.2    Noh, Y.-Y.3    Zaumseil, J.4
  • 10
    • 36849140916 scopus 로고
    • Lifetime of Phosphorescence of Substituted Naphthalenes
    • Iguchi, K. Lifetime of Phosphorescence of Substituted Naphthalenes J. Chem. Phys. 1959, 30 (1) 319-320
    • (1959) J. Chem. Phys. , vol.30 , Issue.1 , pp. 319-320
    • Iguchi, K.1
  • 11
    • 0000037824 scopus 로고
    • Sensitized Phosphorescence in Organic Solutions at Low Temperature. Energy Transfer between Triplet States
    • Terenin, A.; Ermolaev, V. Sensitized Phosphorescence in Organic Solutions at Low Temperature. Energy Transfer between Triplet States Trans. Faraday Soc. 1956, 52 (0) 1042-1052
    • (1956) Trans. Faraday Soc. , vol.52 , Issue.0 , pp. 1042-1052
    • Terenin, A.1    Ermolaev, V.2
  • 12
    • 33947329673 scopus 로고
    • Triplet State. Its Radiative and Nonradiative Properties
    • El-Sayed, M. A. Triplet State. Its Radiative and Nonradiative Properties Acc. Chem. Res. 1968, 1 (1) 8-16
    • (1968) Acc. Chem. Res. , vol.1 , Issue.1 , pp. 8-16
    • El-Sayed, M.A.1
  • 13
    • 33947442690 scopus 로고
    • Phosphorescence and the Role of the Triplet State in the Electronic Excitation of Complex Molecules
    • Kasha, M. Phosphorescence and the Role of the Triplet State in the Electronic Excitation of Complex Molecules Chem. Rev. 1947, 41 (2) 401-419
    • (1947) Chem. Rev. , vol.41 , Issue.2 , pp. 401-419
    • Kasha, M.1
  • 14
    • 0000521355 scopus 로고
    • Photochemical Heavy-Atom Effects
    • Koziar, J. C.; Cowan, D. O. Photochemical Heavy-Atom Effects Acc. Chem. Res. 1978, 11 (9) 334-341
    • (1978) Acc. Chem. Res. , vol.11 , Issue.9 , pp. 334-341
    • Koziar, J.C.1    Cowan, D.O.2
  • 16
    • 0011141985 scopus 로고
    • External Heavy-Atom Spin - Orbital Coupling Effect. V. Absorption Studies of Triplet States
    • McGlynn, S. P.; Azumi, T.; Kasha, M. External Heavy-Atom Spin - Orbital Coupling Effect. V. Absorption Studies of Triplet States J. Chem. Phys. 1964, 40 (2) 507-515
    • (1964) J. Chem. Phys. , vol.40 , Issue.2 , pp. 507-515
    • McGlynn, S.P.1    Azumi, T.2    Kasha, M.3
  • 17
    • 0013768493 scopus 로고
    • Intramolecular Heavy-Atom Effect on the Polarization of Naphthalene Phosphorescence
    • El-Sayed, M. A.; Pavlopoulos, T. Intramolecular Heavy-Atom Effect on the Polarization of Naphthalene Phosphorescence J. Chem. Phys. 1963, 39 (7) 1899-1900
    • (1963) J. Chem. Phys. , vol.39 , Issue.7 , pp. 1899-1900
    • El-Sayed, M.A.1    Pavlopoulos, T.2
  • 18
    • 33947332584 scopus 로고
    • The Triplet State and Molecular Electronic Processes in Organic Molecules
    • Lower, S. K.; El-Sayed, M. A. The Triplet State and Molecular Electronic Processes in Organic Molecules Chem. Rev. 1966, 66 (2) 199-241
    • (1966) Chem. Rev. , vol.66 , Issue.2 , pp. 199-241
    • Lower, S.K.1    El-Sayed, M.A.2
  • 19
    • 36849097117 scopus 로고
    • Heavy-Atom and Substituent Effects on S - T Transitions of Halogenated Carbonyl Compounds
    • Borkman, R. F.; Kearns, D. R. Heavy-Atom and Substituent Effects on S - T Transitions of Halogenated Carbonyl Compounds J. Chem. Phys. 1967, 46 (6) 2333-2341
    • (1967) J. Chem. Phys. , vol.46 , Issue.6 , pp. 2333-2341
    • Borkman, R.F.1    Kearns, D.R.2
  • 20
    • 0002737588 scopus 로고
    • Collisional Perturbation of Spin-Orbital Coupling and the Mechanism of Fluorescence Quenching. A Visual Demonstration of the Perturbation
    • Kasha, M. Collisional Perturbation of Spin-Orbital Coupling and the Mechanism of Fluorescence Quenching. A Visual Demonstration of the Perturbation J. Chem. Phys. 1952, 20 (1) 71-74
    • (1952) J. Chem. Phys. , vol.20 , Issue.1 , pp. 71-74
    • Kasha, M.1
  • 21
    • 79951967490 scopus 로고    scopus 로고
    • Activating Efficient Phosphorescence from Purely Organic Materials by Crystal Design
    • Bolton, O.; Lee, K.; Kim, H.-J.; Lin, K. Y.; Kim, J. Activating Efficient Phosphorescence from Purely Organic Materials by Crystal Design Nat. Chem. 2011, 3 (3) 205-210
    • (2011) Nat. Chem. , vol.3 , Issue.3 , pp. 205-210
    • Bolton, O.1    Lee, K.2    Kim, H.-J.3    Lin, K.Y.4    Kim, J.5
  • 22
    • 84879084344 scopus 로고    scopus 로고
    • Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT
    • Charaf-Eddin, A.; Planchat, A.; Mennucci, B.; Adamo, C.; Jacquemin, D. Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT J. Chem. Theory Comput. 2013, 9 (6) 2749-2760
    • (2013) J. Chem. Theory Comput. , vol.9 , Issue.6 , pp. 2749-2760
    • Charaf-Eddin, A.1    Planchat, A.2    Mennucci, B.3    Adamo, C.4    Jacquemin, D.5
  • 23
    • 70449350937 scopus 로고    scopus 로고
    • Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules
    • Jacquemin, D.; Wathelet, V.; Perpète, E. A.; Adamo, C. Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules J. Chem. Theory Comput. 2009, 5 (9) 2420-2435
    • (2009) J. Chem. Theory Comput. , vol.5 , Issue.9 , pp. 2420-2435
    • Jacquemin, D.1    Wathelet, V.2    Perpète, E.A.3    Adamo, C.4
  • 24
    • 84877738627 scopus 로고    scopus 로고
    • Benchmarking Time-Dependent Density Functional Theory for Excited State Geometries of Organic Molecules in Gas-Phase and in Solution
    • Guido, C. A.; Knecht, S.; Kongsted, J.; Mennucci, B. Benchmarking Time-Dependent Density Functional Theory for Excited State Geometries of Organic Molecules in Gas-Phase and in Solution J. Chem. Theory Comput. 2013, 9 (5) 2209-2220
    • (2013) J. Chem. Theory Comput. , vol.9 , Issue.5 , pp. 2209-2220
    • Guido, C.A.1    Knecht, S.2    Kongsted, J.3    Mennucci, B.4
  • 25
    • 77952733827 scopus 로고    scopus 로고
    • Assessment of TD-DFT Methods and of Various Spin Scaled CIS(D) and CC2 Versions for the Treatment of Low-Lying Valence Excitations of Large Organic Dyes
    • Goerigk, L.; Grimme, S. Assessment of TD-DFT Methods and of Various Spin Scaled CIS(D) and CC2 Versions for the Treatment of Low-Lying Valence Excitations of Large Organic Dyes J. Chem. Phys. 2010, 132 (18) 184103
    • (2010) J. Chem. Phys. , vol.132 , Issue.18 , pp. 184103
    • Goerigk, L.1    Grimme, S.2
  • 26
    • 0034253705 scopus 로고    scopus 로고
    • Calculation of the Absorption Wavelength of Dyes Using Time-Dependent Density-Functional Theory (TD-DFT)
    • Guillaumont, D.; Nakamura, S. Calculation of the Absorption Wavelength of Dyes Using Time-Dependent Density-Functional Theory (TD-DFT) Dyes Pigm. 2000, 46 (2) 85-92
    • (2000) Dyes Pigm. , vol.46 , Issue.2 , pp. 85-92
    • Guillaumont, D.1    Nakamura, S.2
  • 27
    • 84903527855 scopus 로고    scopus 로고
    • Dye Chemistry with Time-Dependent Density Functional Theory
    • Laurent, A. D.; Adamo, C.; Jacquemin, D. Dye Chemistry with Time-Dependent Density Functional Theory Phys. Chem. Chem. Phys. 2014, 16 (28) 14334-14356
    • (2014) Phys. Chem. Chem. Phys. , vol.16 , Issue.28 , pp. 14334-14356
    • Laurent, A.D.1    Adamo, C.2    Jacquemin, D.3
  • 28
    • 84961981091 scopus 로고    scopus 로고
    • Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
    • Cramer, C. J.; Truhlar, D. G. Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics Chem. Rev. 1999, 99 (8) 2161-2200
    • (1999) Chem. Rev. , vol.99 , Issue.8 , pp. 2161-2200
    • Cramer, C.J.1    Truhlar, D.G.2
  • 29
    • 84961980477 scopus 로고    scopus 로고
    • Quantum Mechanical Continuum Solvation Models
    • Tomasi, J.; Mennucci, B.; Cammi, R. Quantum Mechanical Continuum Solvation Models Chem. Rev. 2005, 105 (8) 2999-3094
    • (2005) Chem. Rev. , vol.105 , Issue.8 , pp. 2999-3094
    • Tomasi, J.1    Mennucci, B.2    Cammi, R.3
  • 30
    • 26344435738 scopus 로고
    • Fully Optimized Contracted Gaussian Basis Sets for Atoms Li to Kr
    • Schäfer, A.; Horn, H.; Ahlrichs, R. Fully Optimized Contracted Gaussian Basis Sets for Atoms Li to Kr J. Chem. Phys. 1992, 97 (4) 2571-2577
    • (1992) J. Chem. Phys. , vol.97 , Issue.4 , pp. 2571-2577
    • Schäfer, A.1    Horn, H.2    Ahlrichs, R.3
  • 34
    • 0033131603 scopus 로고    scopus 로고
    • Implementation of Time-Dependent Density Functional Response Equations
    • van Gisbergen, S. J. A.; Snijders, J. G.; Baerends, E. J. Implementation of Time-Dependent Density Functional Response Equations Comput. Phys. Commun. 1999, 118 (2-3) 119-138
    • (1999) Comput. Phys. Commun. , vol.118 , Issue.23 , pp. 119-138
    • Van Gisbergen, S.J.A.1    Snijders, J.G.2    Baerends, E.J.3
  • 35
    • 2942550208 scopus 로고
    • Relativistic Total Energy Using Regular Approximations
    • van Lenthe, E.; Baerends, E. J.; Snijders, J. G. Relativistic Total Energy Using Regular Approximations J. Chem. Phys. 1994, 101 (11) 9783-9792
    • (1994) J. Chem. Phys. , vol.101 , Issue.11 , pp. 9783-9792
    • Van Lenthe, E.1    Baerends, E.J.2    Snijders, J.G.3
  • 36
    • 28344450030 scopus 로고    scopus 로고
    • A Simplified Relativistic Time-Dependent Density-Functional Theory Formalism for the Calculations of Excitation Energies Including Spin-Orbit Coupling Effect
    • Wang, F.; Ziegler, T. A Simplified Relativistic Time-Dependent Density-Functional Theory Formalism for the Calculations of Excitation Energies Including Spin-Orbit Coupling Effect J. Chem. Phys. 2005, 123 (15) 154102
    • (2005) J. Chem. Phys. , vol.123 , Issue.15 , pp. 154102
    • Wang, F.1    Ziegler, T.2
  • 37
    • 0037833475 scopus 로고    scopus 로고
    • Optimized Slater-Type Basis Sets for the Elements 1-118
    • Van Lenthe, E.; Baerends, E. J. Optimized Slater-Type Basis Sets for the Elements 1-118 J. Comput. Chem. 2003, 24 (9) 1142-1156
    • (2003) J. Comput. Chem. , vol.24 , Issue.9 , pp. 1142-1156
    • Van Lenthe, E.1    Baerends, E.J.2
  • 38
    • 0033465061 scopus 로고    scopus 로고
    • An Implementation of the Conductor-like Screening Model of Solvation within the Amsterdam Density Functional Package
    • Pye, C. C.; Ziegler, T. An Implementation of the Conductor-like Screening Model of Solvation within the Amsterdam Density Functional Package Theor. Chem. Acc. 1999, 101 (6) 396-408
    • (1999) Theor. Chem. Acc. , vol.101 , Issue.6 , pp. 396-408
    • Pye, C.C.1    Ziegler, T.2
  • 39
    • 84961980743 scopus 로고
    • COSMO: A New Approach to Dielectric Screening in Solvents with Explicit Expressions for the Screening Energy and Its Gradient
    • Klamt, A.; Schuurmann, G. COSMO: A New Approach to Dielectric Screening in Solvents with Explicit Expressions for the Screening Energy and Its Gradient J. Chem. Soc. Perkin Trans. 2 1993, 5) 799-805
    • (1993) J. Chem. Soc. Perkin Trans. 2 , Issue.5 , pp. 799-805
    • Klamt, A.1    Schuurmann, G.2
  • 40
    • 84962349413 scopus 로고    scopus 로고
    • Linear Response Theory for the Polarizable Continuum Model
    • Cammi, R.; Mennucci, B. Linear Response Theory for the Polarizable Continuum Model J. Chem. Phys. 1999, 110 (20) 9877-9886
    • (1999) J. Chem. Phys. , vol.110 , Issue.20 , pp. 9877-9886
    • Cammi, R.1    Mennucci, B.2
  • 41
    • 84962426273 scopus 로고    scopus 로고
    • Time-Dependent Density Functional Theory for Molecules in Liquid Solutions
    • Cossi, M.; Barone, V. Time-Dependent Density Functional Theory for Molecules in Liquid Solutions J. Chem. Phys. 2001, 115 (10) 4708-4717
    • (2001) J. Chem. Phys. , vol.115 , Issue.10 , pp. 4708-4717
    • Cossi, M.1    Barone, V.2
  • 42
    • 33746868881 scopus 로고    scopus 로고
    • A State-Specific Polarizable Continuum Model Time Dependent Density Functional Theory Method for Excited State Calculations in Solution
    • Improta, R.; Barone, V.; Scalmani, G.; Frisch, M. J. A State-Specific Polarizable Continuum Model Time Dependent Density Functional Theory Method for Excited State Calculations in Solution J. Chem. Phys. 2006, 125 (5) 054103
    • (2006) J. Chem. Phys. , vol.125 , Issue.5 , pp. 054103
    • Improta, R.1    Barone, V.2    Scalmani, G.3    Frisch, M.J.4
  • 43
    • 34548058138 scopus 로고    scopus 로고
    • Toward Effective and Reliable Fluorescence Energies in Solution by a New State Specific Polarizable Continuum Model Time Dependent Density Functional Theory Approach
    • Improta, R.; Scalmani, G.; Frisch, M. J.; Barone, V. Toward Effective and Reliable Fluorescence Energies in Solution by a New State Specific Polarizable Continuum Model Time Dependent Density Functional Theory Approach J. Chem. Phys. 2007, 127 (7) 074504
    • (2007) J. Chem. Phys. , vol.127 , Issue.7 , pp. 074504
    • Improta, R.1    Scalmani, G.2    Frisch, M.J.3    Barone, V.4
  • 44
    • 84962441553 scopus 로고    scopus 로고
    • Polarizable Continuum Model
    • Mennucci, B. Polarizable Continuum Model WIREs 2012, 2 (3) 386-404
    • (2012) WIREs , vol.2 , Issue.3 , pp. 386-404
    • Mennucci, B.1
  • 46
    • 26244461462 scopus 로고    scopus 로고
    • Balanced Basis Sets of Split Valence, Triple Zeta Valence and Quadruple Zeta Valence Quality for H to Rn: Design and Assessment of Accuracy
    • Weigend, F.; Ahlrichs, R. Balanced Basis Sets of Split Valence, Triple Zeta Valence and Quadruple Zeta Valence Quality for H to Rn: Design and Assessment of Accuracy Phys. Chem. Chem. Phys. 2005, 7 (18) 3297-3305
    • (2005) Phys. Chem. Chem. Phys. , vol.7 , Issue.18 , pp. 3297-3305
    • Weigend, F.1    Ahlrichs, R.2
  • 47
    • 20344375326 scopus 로고    scopus 로고
    • Augmenting Basis Set for Time-Dependent Density Functional Theory Calculation of Excitation Energies: Slater-Type Orbitals for Hydrogen to Krypton
    • Chong, D. P. Augmenting Basis Set for Time-Dependent Density Functional Theory Calculation of Excitation Energies: Slater-Type Orbitals for Hydrogen to Krypton Mol. Phys. 2005, 103 (6-8) 749-761-761
    • (2005) Mol. Phys. , vol.103 , Issue.68 , pp. 749
    • Chong, D.P.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.