메뉴 건너뛰기




Volumn 3, Issue 22, 2012, Pages 3338-3342

The odd electron density is the guide toward achieving organic molecules with gigantic third-order nonlinear optical responses

Author keywords

[No Author keywords available]

Indexed keywords

CLOSED SHELLS; DENSITY AMPLITUDE; DIRADICALS; DONOR AND ACCEPTOR; MOLECULAR LEVELS; NANOFLAKES; NONLINEAR OPTICAL PROPERTIES; NONLINEAR OPTICAL RESPONSE; OPEN-SHELL; ORDERS OF MAGNITUDE; ORGANIC MOLECULES; SECOND HYPERPOLARIZABILITIES; THIRD-ORDER; ZIGZAG EDGES;

EID: 84869443849     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz301573j     Document Type: Article
Times cited : (27)

References (46)
  • 1
    • 0039965882 scopus 로고
    • Third-order nonlinear optical response in organic materials: Theoretical and experimental aspects
    • Brédas, J. L.; Adant, C.; Tackx, P.; Persoons, A.; Pierce, B. M. Third-Order Nonlinear Optical Response in Organic Materials: Theoretical and Experimental Aspects Chem. Rev. 1994, 94, 243-278 (Pubitemid 24987844)
    • (1994) Chemical Reviews , vol.94 , Issue.1 , pp. 243-278
    • Bredas, J.L.1    Adant, C.2    Tackx, P.3    Persoons, A.4    Pierce, B.M.5
  • 2
    • 0000213801 scopus 로고
    • Nonlinear Optical Properties of Linear Chains and Electron-Correlation Effects
    • Heflin, J. R.; Wong, K. Y.; Zamani-Khamiri, O.; Garito, A. F. Nonlinear Optical Properties of Linear Chains and Electron-Correlation Effects Phys. Rev. B 1988, 38, 1573-1576
    • (1988) Phys. Rev. B , vol.38 , pp. 1573-1576
    • Heflin, J.R.1    Wong, K.Y.2    Zamani-Khamiri, O.3    Garito, A.F.4
  • 4
    • 6244254424 scopus 로고    scopus 로고
    • Chemical bonding and size scaling of nonlinear polarizabilities of conjugated polymers
    • Tretiak, S.; Chernyak, V.; Mukamel, S. Chemical Bonding and Size Scaling of Nonlinear Polarizabilities of Conjugated Polymers Phys. Rev. Lett. 1996, 77, 4656-4659 (Pubitemid 126632007)
    • (1996) Physical Review Letters , vol.77 , Issue.22 , pp. 4656-4659
    • Tretiak, S.1    Chernyak, V.2    Mukamel, S.3
  • 5
    • 0000009679 scopus 로고
    • Chain-Length Dependence of the Third-Order Polarizability of Disubstituted Polyenes: Effects of End Groups and Conjugation Length
    • Puccetti, G.; Blanchard-Desce, M.; Ledoux, I.; Lehn, J. M.; Zyss, J. Chain-Length Dependence of the Third-Order Polarizability of Disubstituted Polyenes: Effects of End Groups and Conjugation Length J. Phys. Chem. 1993, 97, 9385-9391
    • (1993) J. Phys. Chem. , vol.97 , pp. 9385-9391
    • Puccetti, G.1    Blanchard-Desce, M.2    Ledoux, I.3    Lehn, J.M.4    Zyss, J.5
  • 6
    • 0009350146 scopus 로고
    • Electric field modulated nonlinear optical properties of donor - Acceptor polyenes: Sum-over-states investigation of the relationship between molecular polarizabilities (α, β, and γ) and bond length alternation
    • Meyers, F.; Marder, S. R.; Pierce, B. M.; Brédas, J. L. Electric Field Modulated Nonlinear Optical Properties of Donor-Acceptor Polyenes: Sum-over-States Investigation of the Relationship between Molecular Polarizabilities (α, β, and γ) and Bond Length Alternation J. Am. Chem. Soc. 1994, 116, 10703-10714 (Pubitemid 24981884)
    • (1994) Journal of the American Chemical Society , vol.116 , Issue.23 , pp. 10703-10714
    • Meyers, F.1    Marder, S.R.2    Pierce, B.M.3    Bredas, J.L.4
  • 9
    • 0005080691 scopus 로고
    • Variational-Perturbational Treatment for the Polarizabilities of Conjugated Chains. II. Hyperpolarizabilities of Polyenic Chains
    • de Melo, C. P.; Silbey, R. Variational-Perturbational Treatment for the Polarizabilities of Conjugated Chains. II. Hyperpolarizabilities of Polyenic Chains J. Chem. Phys. 1988, 88, 2567-2571
    • (1988) J. Chem. Phys. , vol.88 , pp. 2567-2571
    • De Melo, C.P.1    Silbey, R.2
  • 10
    • 33845765038 scopus 로고
    • Size-Consistent Approach and Density Analysis of Hyperpolarizability: Second Hyperpolarizabilities of Polymeric Systems with and without Defects
    • Nakano, M.; Shigemoto, I.; Yamada, S.; Yamaguchi, K. Size-Consistent Approach and Density Analysis of Hyperpolarizability: Second Hyperpolarizabilities of Polymeric Systems with and without Defects J. Chem. Phys. 1995, 103, 4175-4191
    • (1995) J. Chem. Phys. , vol.103 , pp. 4175-4191
    • Nakano, M.1    Shigemoto, I.2    Yamada, S.3    Yamaguchi, K.4
  • 11
    • 23744448895 scopus 로고    scopus 로고
    • The structure and the large nonlinear optical properties of Li@calix[4]pyrrole
    • DOI 10.1021/ja050601w
    • Chen, W.; Li, Z. R.; Wu, D.; Li, Y.; Sun, C. C.; Gu, F. L. The Structure and the Large Nonlinear Optical Properties of Li@calix[4]pyrrole J. Am. Chem. Soc. 2005, 127, 10977-10981 (Pubitemid 41129873)
    • (2005) Journal of the American Chemical Society , vol.127 , Issue.31 , pp. 10977-10981
    • Chen, W.1    Li, Z.-R.2    Wu, D.3    Li, Y.4    Sun, C.-C.5    Gu, F.L.6
  • 13
    • 0034246677 scopus 로고    scopus 로고
    • Physical Limits on Electronic Nonlinear Molecular Susceptibilities
    • Kuzyk, M. G. Physical Limits on Electronic Nonlinear Molecular Susceptibilities Phys. Rev. Lett. 2000, 85, 1218-1221
    • (2000) Phys. Rev. Lett. , vol.85 , pp. 1218-1221
    • Kuzyk, M.G.1
  • 14
    • 0037462919 scopus 로고    scopus 로고
    • Erratum: Physical Limits on Electronic Nonlinear Molecular Susceptibilities [Phys. Rev. Lett. 85, 001218 (2000)]
    • Kuzyk, M. G. Erratum: Physical Limits on Electronic Nonlinear Molecular Susceptibilities [Phys. Rev. Lett. 85, 001218 (2000)] Phys. Rev. Lett. 2003, 90, 039902(E)
    • (2003) Phys. Rev. Lett. , vol.90
    • Kuzyk, M.G.1
  • 15
    • 34547428439 scopus 로고    scopus 로고
    • Relationship between Third-Order Nonlinear Optical Properties and Magnetic Interactions in Open-Shell Systems: A New Paradigm for Nonlinear Optics
    • Nakano, M.; Kishi, R.; Ohta, S.; Takahashi, H.; Kubo, T.; Kamada, K.; Ohta, K.; Botek, E.; Champagne, B. Relationship between Third-Order Nonlinear Optical Properties and Magnetic Interactions in Open-Shell Systems: A New Paradigm for Nonlinear Optics Phys. Rev. Lett. 2007, 99, 033001/1-033001/4
    • (2007) Phys. Rev. Lett. , vol.99
    • Nakano, M.1    Kishi, R.2    Ohta, S.3    Takahashi, H.4    Kubo, T.5    Kamada, K.6    Ohta, K.7    Botek, E.8    Champagne, B.9
  • 18
    • 69949145962 scopus 로고    scopus 로고
    • Unusual Interchromophoric Interactions in β,β'-Directly and Doubly Linked Corrole Dimers: Prohibited Electronic Communication and Abnormal Singlet Ground States
    • Cho, S.; Lim, J. M.; Hiroto, S.; Kim, P.; Shinokubo, H.; Osuka, A.; Kim, D. Unusual Interchromophoric Interactions in β,β'-Directly and Doubly Linked Corrole Dimers: Prohibited Electronic Communication and Abnormal Singlet Ground States J. Am. Chem. Soc. 2009, 131, 6412-6420
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 6412-6420
    • Cho, S.1    Lim, J.M.2    Hiroto, S.3    Kim, P.4    Shinokubo, H.5    Osuka, A.6    Kim, D.7
  • 19
    • 78049262938 scopus 로고    scopus 로고
    • Third-Order Nonlinear Optical Properties of a π-Conjugated Biradical Molecule Investigated by Third-Harmonic Generation Spectroscopy
    • Kishida, H.; Hibino, K.; Nakamura, A.; Kato, D.; Abe, J. Third-Order Nonlinear Optical Properties of a π-Conjugated Biradical Molecule Investigated by Third-Harmonic Generation Spectroscopy Thin Sol. Films 2010, 519, 1028-1030
    • (2010) Thin Sol. Films , vol.519 , pp. 1028-1030
    • Kishida, H.1    Hibino, K.2    Nakamura, A.3    Kato, D.4    Abe, J.5
  • 20
    • 84865734755 scopus 로고    scopus 로고
    • Stable Tetrabenzo-Chichibabin's Hydrocarbons: Tunable Ground State and Unusual Transition between Their Closed-Shell and Open-Shell Resonance Forms
    • Zeng, Z.; Sung, Y. M.; Bao, N.; Tan, D.; Lee, R.; Zafra, J. L.; Lee, B. S.; Ishida, M.; Ding, J.; Navarrete, J. T. L. Stable Tetrabenzo-Chichibabin's Hydrocarbons: Tunable Ground State and Unusual Transition between Their Closed-Shell and Open-Shell Resonance Forms J. Am. Chem. Soc. 2012, 134, 14513-14525
    • (2012) J. Am. Chem. Soc. , vol.134 , pp. 14513-14525
    • Zeng, Z.1    Sung, Y.M.2    Bao, N.3    Tan, D.4    Lee, R.5    Zafra, J.L.6    Lee, B.S.7    Ishida, M.8    Ding, J.9    Navarrete, J.T.L.10
  • 21
  • 22
    • 0000917916 scopus 로고
    • Electronic Structure of the Open Forms of Three-Membered Rings
    • Hayes, E. F.; Siu, A. K. Q. Electronic Structure of the Open Forms of Three-Membered Rings J. Am. Chem. Soc. 1971, 93, 2090-2091
    • (1971) J. Am. Chem. Soc. , vol.93 , pp. 2090-2091
    • Hayes, E.F.1    Siu, A.K.Q.2
  • 25
    • 81855202011 scopus 로고    scopus 로고
    • Erratum to: (Hyper)polarizability Density Analysis for Open-Shell Molecular Systems based on Natural Orbitals and Occupation Numbers
    • Nakano, M.; Fukui, H.; Minami, T.; Yoneda, K.; Shigeta, Y.; Kishi, R.; Champagne, B.; Botek, E.; Kubo, T.; Ohta, K. Erratum to: (Hyper)polarizability Density Analysis for Open-Shell Molecular Systems based on Natural Orbitals and Occupation Numbers Theor. Chem. Acct. 2011, 130, 725-726
    • (2011) Theor. Chem. Acct. , vol.130 , pp. 725-726
    • Nakano, M.1    Fukui, H.2    Minami, T.3    Yoneda, K.4    Shigeta, Y.5    Kishi, R.6    Champagne, B.7    Botek, E.8    Kubo, T.9    Ohta, K.10
  • 27
    • 79951798565 scopus 로고    scopus 로고
    • Towards Polycyclic Aromatic Hydrocarbons with a Singlet Open-Shell Ground State
    • Lambert, C. Towards Polycyclic Aromatic Hydrocarbons with a Singlet Open-Shell Ground State Angew. Chem., Int. Ed. 2011, 50, 1756-1758
    • (2011) Angew. Chem., Int. Ed. , vol.50 , pp. 1756-1758
    • Lambert, C.1
  • 28
    • 84859595348 scopus 로고    scopus 로고
    • Open-Shell Polycyclic Aromatic Hydrocarbons
    • Sun, Z.; Wu, J. Open-Shell Polycyclic Aromatic Hydrocarbons J. Mater. Chem. 2012, 22, 4151-4160
    • (2012) J. Mater. Chem. , vol.22 , pp. 4151-4160
    • Sun, Z.1    Wu, J.2
  • 29
    • 78449301206 scopus 로고    scopus 로고
    • Singlet Fission
    • Smith, M. B.; Michl, J. Singlet Fission Chem. Rev. 2010, 110, 6891-6936
    • (2010) Chem. Rev. , vol.110 , pp. 6891-6936
    • Smith, M.B.1    Michl, J.2
  • 30
    • 84856002733 scopus 로고    scopus 로고
    • Diradical Character View of Singlet Fission
    • Minami, T.; Nakano, M. Diradical Character View of Singlet Fission J. Phys. Chem. Lett. 2012, 3, 145-150
    • (2012) J. Phys. Chem. Lett. , vol.3 , pp. 145-150
    • Minami, T.1    Nakano, M.2
  • 33
  • 34
    • 84861875858 scopus 로고    scopus 로고
    • Enhancement of the Third-Order Nonlinear Optical Properties in Open-Shell Singlet Transition-Metal Dinuclear Systems: Effects of the Group, of the Period, and of the Charge of the Metal Atom
    • Fukui, H.; Inoue, Y.; Yamada, T.; Ito, S.; Shigeta, Y.; Kishi, R.; Champagne, B.; Nakano, M. Enhancement of the Third-Order Nonlinear Optical Properties in Open-Shell Singlet Transition-Metal Dinuclear Systems: Effects of the Group, of the Period, and of the Charge of the Metal Atom J. Phys. Chem. A 2012, 116, 5501-5509
    • (2012) J. Phys. Chem. A , vol.116 , pp. 5501-5509
    • Fukui, H.1    Inoue, Y.2    Yamada, T.3    Ito, S.4    Shigeta, Y.5    Kishi, R.6    Champagne, B.7    Nakano, M.8
  • 35
    • 79955891980 scopus 로고    scopus 로고
    • Giant Enhancement of the Second Hyperpolarizabilities of Open-Shell Singlet Polyaromatic Diphenalenyl Diradicaloids by an External Electric Field and Donor-Acceptor Substitution
    • Nakano, M.; Minami, T.; Yoneda, K.; Muhammad., S.; Kishi, R.; Shigeta, Y.; Kubo, T.; Rougier, L.; Champagne, B.; Kamada, K. Giant Enhancement of the Second Hyperpolarizabilities of Open-Shell Singlet Polyaromatic Diphenalenyl Diradicaloids by an External Electric Field and Donor-Acceptor Substitution J. Phys. Chem. Lett. 2011, 2, 1094-1098
    • (2011) J. Phys. Chem. Lett. , vol.2 , pp. 1094-1098
    • Nakano, M.1    Minami, T.2    Yoneda, K.3    Muhammad, S.4    Kishi, R.5    Shigeta, Y.6    Kubo, T.7    Rougier, L.8    Champagne, B.9    Kamada, K.10
  • 36
    • 79951627674 scopus 로고    scopus 로고
    • Exceptionally Large Second-Order Nonlinear Optical Response in Donor-Graphene Nanoribbon-Acceptor Systems
    • Zhou, Z.-J.; Li, X.-P.; Ma, F.; Liu, Z.-B.; Li, Z.-R.; Huang, X.-R.; Sun, C.-C. Exceptionally Large Second-Order Nonlinear Optical Response in Donor-Graphene Nanoribbon-Acceptor Systems Chem.-Eur. J. 2011, 17, 2414-2419
    • (2011) Chem.-Eur. J. , vol.17 , pp. 2414-2419
    • Zhou, Z.-J.1    Li, X.-P.2    Ma, F.3    Liu, Z.-B.4    Li, Z.-R.5    Huang, X.-R.6    Sun, C.-C.7
  • 39
    • 0000327915 scopus 로고
    • Distribution of Odd Electrons in Ground-State Molecules
    • Takatsuka, K.; Fueno, T.; Yamaguchi, K. Distribution of Odd Electrons in Ground-State Molecules Theor. Chim. Acta. 1978, 48, 175-183
    • (1978) Theor. Chim. Acta. , vol.48 , pp. 175-183
    • Takatsuka, K.1    Fueno, T.2    Yamaguchi, K.3
  • 40
    • 0037472107 scopus 로고    scopus 로고
    • Characterizing unpaired electrons from the one-particle density matrix
    • DOI 10.1016/S0009-2614(03)00422-6, PII S0009261403004226
    • Head-Gordon, M. Characterizing Unpaired Electrons from the One-Particle Density Matrix Chem. Phys. Lett. 2003, 372, 508-511 (Pubitemid 36507376)
    • (2003) Chemical Physics Letters , vol.372 , Issue.3-4 , pp. 508-511
    • Head-Gordon, M.1
  • 41
    • 0035934184 scopus 로고    scopus 로고
    • A long-range correction scheme for generalized-gradient-approximation exchange functionals
    • DOI 10.1063/1.1383587
    • Iikura, H.; Tsuneda, T.; Yanai, T.; Hirao, K. A Long-Range Correction Scheme for Generalized-Gradient-Approximation Exchange Functionals J. Chem. Phys. 2001, 115, 3540-3544 (Pubitemid 32795665)
    • (2001) Journal of Chemical Physics , vol.115 , Issue.8 , pp. 3540-3544
    • Iikura, H.1    Tsuneda, T.2    Yanai, T.3    Hirao, K.4
  • 42
    • 0002232990 scopus 로고
    • Electric Dipole Polarizability of Atoms by the Hartree-Fock Method. I. Theory for Closed-Shell Systems
    • Cohen, H. D.; Roothaan, C. C. J. Electric Dipole Polarizability of Atoms by the Hartree-Fock Method. I. Theory for Closed-Shell Systems J. Chem. Phys. 1965, 43, S34-S39
    • (1965) J. Chem. Phys. , vol.43
    • Cohen, H.D.1    Roothaan, C.C.J.2
  • 43
    • 45449124752 scopus 로고
    • A Spin Correction Procedure for Unrestricted Hartree-Fock and Moller-Plesset Wavefunctions for Singlet Diradicals and Polyradicals
    • Yamaguchi, K.; Jensen, F.; Dorigo, A.; Houk, K. N. A Spin Correction Procedure for Unrestricted Hartree-Fock and Moller-Plesset Wavefunctions for Singlet Diradicals and Polyradicals Chem. Phys. Lett. 1988, 149, 537-542
    • (1988) Chem. Phys. Lett. , vol.149 , pp. 537-542
    • Yamaguchi, K.1    Jensen, F.2    Dorigo, A.3    Houk, K.N.4
  • 44
    • 67949121612 scopus 로고    scopus 로고
    • Spin-Unrestricted Calculations of Bare-Edged Nanographenes Using DFT and Many-Body Perturbation Theory
    • Pollet, R.; Amara, H. Spin-Unrestricted Calculations of Bare-Edged Nanographenes Using DFT and Many-Body Perturbation Theory J. Chem. Theory Comput. 2009, 5, 1719-1722
    • (2009) J. Chem. Theory Comput. , vol.5 , pp. 1719-1722
    • Pollet, R.1    Amara, H.2
  • 45
    • 78649631849 scopus 로고    scopus 로고
    • Approximate Spin-Projected Spin-Unrestricted Density Functional Theory Method: Application to the Diradical Character Dependences of the (Hyper)polarizabilities in p -Quinodimethane Models
    • Nakano, M.; Minami, T.; Fukui, H.; Yoneda, K.; Shigeta, Y.; Kishi, R.; Champagne, B.; Botek, E. Approximate Spin-Projected Spin-Unrestricted Density Functional Theory Method: Application to the Diradical Character Dependences of the (Hyper)polarizabilities in p -Quinodimethane Models Chem. Phys. Lett. 2010, 501, 140-145
    • (2010) Chem. Phys. Lett. , vol.501 , pp. 140-145
    • Nakano, M.1    Minami, T.2    Fukui, H.3    Yoneda, K.4    Shigeta, Y.5    Kishi, R.6    Champagne, B.7    Botek, E.8


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.