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Volumn 128, Issue 7, 2008, Pages

One- and two-photon Absorptions in asymmetrically substituted free-base porphyrins: A density functional theory study

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTRA; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; DERIVATIVES; DICHROISM; MAGNETIC MOMENTS; PHOTONS;

EID: 39749147902     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2838776     Document Type: Article
Times cited : (14)

References (71)
  • 1
    • 39749175863 scopus 로고
    • Spectroscopy of Chlorophyll and Related Compounds (Science and Technology, Minsk).
    • G. P. Gurinovich, A. N. Sevchenko, and K. N. Solovjev, Spectroscopy of Chlorophyll and Related Compounds (Science and Technology, Minsk, 1968).
    • (1968)
    • Gurinovich, G.P.1    Sevchenko, A.N.2    Solovjev, K.N.3
  • 2
    • 0031208887 scopus 로고    scopus 로고
    • PRPLCM 0370-1573 10.1016/S0370-1573(97)00004-5.
    • A. J. Hoff and J. Deisenhofer, Phys. Rep. PRPLCM 0370-1573 10.1016/S0370-1573(97)00004-5 287, 1 (1997).
    • (1997) Phys. Rep. , vol.287 , pp. 1
    • Hoff, A.J.1    Deisenhofer, J.2
  • 3
    • 57249085706 scopus 로고    scopus 로고
    • RCRVAB 0036-021X 10.1070/RC2001v070n07ABEH000661.
    • N. Z. Mamardashvili and O. A. Golubchikov, Russ. Chem. Rev. RCRVAB 0036-021X 10.1070/RC2001v070n07ABEH000661 70, 577 (2001).
    • (2001) Russ. Chem. Rev. , vol.70 , pp. 577
    • Mamardashvili, N.Z.1    Golubchikov, O.A.2
  • 4
    • 39749133844 scopus 로고
    • The Porphyrins, edited by D. Dolphin (Academic, New York), Vol.,.
    • M. Gouterman, The Porphyrins, edited by, D. Dolphin, (Academic, New York, 1978), Vol. III, p. 1.
    • (1978) , vol.3 , pp. 1
    • Gouterman, M.1
  • 9
    • 14644440886 scopus 로고    scopus 로고
    • HCACAV 0018-019X 10.1002/hlca.200490288.
    • B. Felber and F. Diederich, Helv. Chim. Acta HCACAV 0018-019X 10.1002/hlca.200490288 88, 120 (2005).
    • (2005) Helv. Chim. Acta , vol.88 , pp. 120
    • Felber, B.1    Diederich, F.2
  • 14
    • 0034666998 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.62.10958.
    • M. A. Baldo and S. R. Forrest, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.10958 62, 10958 (2000).
    • (2000) Phys. Rev. B , vol.62 , pp. 10958
    • Baldo, M.A.1    Forrest, S.R.2
  • 16
  • 18
    • 0347690972 scopus 로고    scopus 로고
    • JPCAFH 1089-5639 10.1021/jp027750a.
    • R. A. Oakes and S. E. J. Bell, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp027750a 107, 2964 (2003).
    • (2003) J. Phys. Chem. A , vol.107 , pp. 2964
    • Oakes, R.A.1    Bell, S.E.J.2
  • 22
    • 0034658488 scopus 로고    scopus 로고
    • PPCPFQ 1463-9076 10.1039/b001923m.
    • D. Sundholm, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b001923m 2, 2275 (2000).
    • (2000) Phys. Chem. Chem. Phys. , vol.2 , pp. 2275
    • Sundholm, D.1
  • 24
    • 0037396668 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1540627.
    • K. A. Nguyen and R. Pachter, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1540627 118, 5802 (2003).
    • (2003) J. Chem. Phys. , vol.118 , pp. 5802
    • Nguyen, K.A.1    Pachter, R.2
  • 31
    • 0042813364 scopus 로고
    • JMOSA3 0022-2852 10.1016/0022-2852(61)90236-3.
    • M. Gouterman, J. Mol. Spectrosc. JMOSA3 0022-2852 10.1016/0022-2852(61) 90236-3 6, 138 (1961).
    • (1961) J. Mol. Spectrosc. , vol.6 , pp. 138
    • Gouterman, M.1
  • 32
    • 0000283824 scopus 로고
    • CHPLBC 0009-2614 10.1016/0009-2614(90)85541-J.
    • J. D. Baker and M. C. Zerner, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(90)85541-J 175, 192 (1990).
    • (1990) Chem. Phys. Lett. , vol.175 , pp. 192
    • Baker, J.D.1    Zerner, M.C.2
  • 33
    • 0030570285 scopus 로고    scopus 로고
    • CHPLBC 0009-2614 10.1016/0009-2614(96)00440-X.
    • R. Bauernschmitt and R. Ahlrichs, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(96)00440-X 256, 454 (1996).
    • (1996) Chem. Phys. Lett. , vol.256 , pp. 454
    • Bauernschmitt, R.1    Ahlrichs, R.2
  • 35
    • 15744365660 scopus 로고    scopus 로고
    • CMPHC2 0301-0104 10.1016/j.chemphys.2004.11.041.
    • O. Loboda, I. Tunnell, B. F. Minaev, and H. Ågren, Chem. Phys. CMPHC2 0301-0104 10.1016/j.chemphys.2004.11.041 312, 299 (2005).
    • (2005) Chem. Phys. , vol.312 , pp. 299
    • Loboda, O.1    Tunnell, I.2    Minaev, B.F.3    Ågren, H.4
  • 36
    • 27644555225 scopus 로고    scopus 로고
    • CMPHC2 0301-0104 10.1016/j.chemphys.2005.04.017.
    • B. F. Minaev and H. Ågren, Chem. Phys. CMPHC2 0301-0104 10.1016/j.chemphys.2005.04.017 315, 215 (2005).
    • (2005) Chem. Phys. , vol.315 , pp. 215
    • Minaev, B.F.1    Ågren, H.2
  • 39
    • 0000097231 scopus 로고
    • JMOSA3 0022-2852 10.1016/0022-2852(78)90133-9.
    • B. F. Kim and J. Bohandy, J. Mol. Spectrosc. JMOSA3 0022-2852 10.1016/0022-2852(78)90133-9 73, 332 (1978).
    • (1978) J. Mol. Spectrosc. , vol.73 , pp. 332
    • Kim, B.F.1    Bohandy, J.2
  • 40
    • 0012597289 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.52.997.
    • W. Kohn and L. J. Sham, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.52.997 52, 997 (1984).
    • (1984) Phys. Rev. Lett. , vol.52 , pp. 997
    • Kohn, W.1    Sham, L.J.2
  • 41
    • 0000189651 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.464913.
    • A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464913 98, 5648 (1993).
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 42
  • 46
    • 84871585496 scopus 로고
    • JCCHDD 0192-8651 10.1002/jcc.540080615.
    • K. D. Dobbs and W. J. Hehre, J. Comput. Chem. JCCHDD 0192-8651 10.1002/jcc.540080615 8, 880 (1987).
    • (1987) J. Comput. Chem. , vol.8 , pp. 880
    • Dobbs, K.D.1    Hehre, W.J.2
  • 47
    • 39749112754 scopus 로고    scopus 로고
    • GAUSSIAN 03, Revision B05, Gaussian, Inc., Pittsburgh, PA.
    • M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision B05, Gaussian, Inc., Pittsburgh, PA, 2003.
    • (2003)
    • Frisch, M.J.1    Trucks, G.W.2    Schlegel, H.B.3
  • 49
    • 26444460047 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1676494, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1678579 57, 2264 (1972).
    • W. M. McClain, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1676494 55, 2789 (1971); W. M. McClain, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1678579 57, 2264 (1972).
    • (1971) J. Chem. Phys. , vol.55 , pp. 2789
    • McClain, W.M.1    McClain, W.M.2
  • 52
    • 0001000594 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.480111.
    • P. Norman, Y. Luo, and H. Ågren, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.480111 111, 7758 (1999).
    • (1999) J. Chem. Phys. , vol.111 , pp. 7758
    • Norman, P.1    Luo, Y.2    Ågren, H.3
  • 55
    • 0037159069 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1501131.
    • Z. L. Cai, K. Sendt, and J. R. Reimers, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1501131 117, 5543 (2002).
    • (2002) J. Chem. Phys. , vol.117 , pp. 5543
    • Cai, Z.L.1    Sendt, K.2    Reimers, J.R.3
  • 57
    • 0037451468 scopus 로고    scopus 로고
    • CPCHFT 1439-4235 10.1002/cphc.200390047.
    • S. Grimme and M. Parac, ChemPhysChem CPCHFT 1439-4235 10.1002/cphc.200390047 4, 292 (2003).
    • (2003) ChemPhysChem , vol.4 , pp. 292
    • Grimme, S.1    Parac, M.2
  • 58
    • 3142771297 scopus 로고    scopus 로고
    • CHPLBC 0009-2614 10.1016/j.cplett.2004.06.011.
    • T. Yanai, D. P. Tew, and N. C. Handy, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2004.06.011 393, 51 (2004).
    • (2004) Chem. Phys. Lett. , vol.393 , pp. 51
    • Yanai, T.1    Tew, D.P.2    Handy, N.C.3
  • 61
    • 39749183051 scopus 로고    scopus 로고
    • DALTON, Release 2.0, a molecular electronic structure program, see http://www.kjemi.uio.no/software/dalton/dalton.html
    • DALTON, Release 2.0, a molecular electronic structure program, 2005, see http://www.kjemi.uio.no/software/dalton/dalton.html
    • (2005)
  • 65
    • 0001092042 scopus 로고
    • JPCHAX 0022-3654 10.1021/j100164a020.
    • X.-Y. Li and M. Z. Zgierski, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100164a020 95, 4268 (1991).
    • (1991) J. Phys. Chem. , vol.95 , pp. 4268
    • Li, X.-Y.1    Zgierski, M.Z.2


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