메뉴 건너뛰기




Volumn 131, Issue 13, 2009, Pages

Linear and nonlinear optical properties of a series of Ni-dithiolene derivatives

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; BASIS SETS; COUPLED CLUSTERS; DFT METHOD; DIRADICALS; DITHIOLENE; LOW-LYING STATE; NLO PROPERTIES; NONLINEAR OPTICAL PROPERTIES; PHOTONIC APPLICATION; SINGLET STATE; VALENCE BONDS;

EID: 70449134099     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3238234     Document Type: Article
Times cited : (45)

References (88)
  • 3
    • 0035847027 scopus 로고    scopus 로고
    • A three-dimensional synthetic metallic crystal composed of single-component molecules
    • DOI 10.1126/science.291.5502.285
    • H. Tanaka, Y. Okano, H. Kobayashi, W. Suzuki, and A. Kobayashi, Science 0036-8075 291, 285 (2001). 10.1126/science.291.5502.285 (Pubitemid 32096309)
    • (2001) Science , vol.291 , Issue.5502 , pp. 285-287
    • Tanaka, H.1    Okano, Y.2    Kobayashi, H.3    Suzuki, W.4    Kobayashi, A.5
  • 15
    • 33846415803 scopus 로고    scopus 로고
    • Nonlinear optical absorption of a metal dithiolene complex irradiated by different laser pulses at near-infrared wavelengths
    • DOI 10.1016/j.cplett.2006.12.057, PII S0009261406018665
    • W. F. Guo, X. B. Sun, J. Sun, X. Q. Wang, G. H. Zhang, Q. Ren, and D. Xu, Chem. Phys. Lett. 0009-2614 435, 65 (2007). 10.1016/j.cplett.2006.12.057 (Pubitemid 46148864)
    • (2007) Chemical Physics Letters , vol.435 , Issue.1-3 , pp. 65-68
    • Guo, W.F.1    Sun, X.B.2    Sun, J.3    Wang, X.Q.4    Zhang, G.H.5    Ren, Q.6    Xu, D.7
  • 16
    • 33747780750 scopus 로고    scopus 로고
    • Transient nonlinear optical response of novel neutral unsymmetrical nickel dithiolene complexes
    • DOI 10.1016/j.cplett.2006.06.056, PII S0009261406009067
    • P. Aloukos, S. Couris, J. B. Koutselas, G. C. Anyfantis, and G. C. Papavassiliou, Chem. Phys. Lett. 0009-2614 428, 109 (2006). 10.1016/j.cplett. 2006.06.056 (Pubitemid 44279649)
    • (2006) Chemical Physics Letters , vol.428 , Issue.1-3 , pp. 109-113
    • Aloukos, P.1    Couris, S.2    Koutselas, J.B.3    Anyfantis, G.C.4    Papavassiliou, G.C.5
  • 20
    • 0032481556 scopus 로고    scopus 로고
    • 0935-9648, 10.1002/(SICI)1521-4095(199803)10:4<334::AID-ADMA334>3. 0.CO;2-A
    • C. T. Chen, S. Y. Liao, K. J. Lin, and L. L. Lai, Adv. Mater. (Weinheim, Ger.) 0935-9648 10, 334 (1998). 10.1002/(SICI)1521-4095(199803)10:4<334::AID- ADMA334>3.0.CO;2-A
    • (1998) Adv. Mater. (Weinheim, Ger.) , vol.10 , pp. 334
    • Chen, C.T.1    Liao, S.Y.2    Lin, K.J.3    Lai, L.L.4
  • 22
    • 0021485270 scopus 로고
    • 0033-4545, 10.1351/pac198456091289
    • J. Wirz, Pure Appl. Chem. 0033-4545 56, 1289 (1984). 10.1351/ pac198456091289
    • (1984) Pure Appl. Chem. , vol.56 , pp. 1289
    • Wirz, J.1
  • 24
    • 36749108838 scopus 로고
    • 0021-9606, 10.1063/1.440939
    • L. Noodleman, J. Chem. Phys. 0021-9606 74, 5737 (1981). 10.1063/1.440939
    • (1981) J. Chem. Phys. , vol.74 , pp. 5737
    • Noodleman, L.1
  • 25
    • 23344432990 scopus 로고    scopus 로고
    • z (z = 2-, 1- 0; M = Ni, Pd, Pt, Cu, Au): An experimental, density functional, and correlated ab initio study
    • DOI 10.1021/ic0507565
    • K. Ray, T. Weyhermuller, F. Neese, and K. Wieghardt, Inorg. Chem. 0020-1669 44, 5345 (2005). 10.1021/ic0507565 (Pubitemid 41102177)
    • (2005) Inorganic Chemistry , vol.44 , Issue.15 , pp. 5345-5360
    • Ray, K.1    Weyhermuller, T.2    Neese, F.3    Wieghardt, K.4
  • 31
    • 16944362997 scopus 로고    scopus 로고
    • 1050-2947, 10.1103/PhysRevA.55.1503
    • M. Nakano, H. Nagao, and K. Yamaguchi, Phys. Rev. A 1050-2947 55, 1503 (1997). 10.1103/PhysRevA.55.1503
    • (1997) Phys. Rev. A , vol.55 , pp. 1503
    • Nakano, M.1    Nagao, H.2    Yamaguchi, K.3
  • 34
  • 37
    • 34047200830 scopus 로고    scopus 로고
    • Origin of near-infrared absorption and large second hyperpolarizability in oxyallyl diradicaloids: A three-state model approach
    • DOI 10.1021/jp068900a
    • K. Yesudas and K. Bhanuprakash, J. Phys. Chem. A 1089-5639 111, 1943 (2007). 10.1021/jp068900a (Pubitemid 46543249)
    • (2007) Journal of Physical Chemistry A , vol.111 , Issue.10 , pp. 1943-1952
    • Yesudas, K.1    Bhanuprakash, K.2
  • 38
    • 0000757103 scopus 로고
    • 0065-2385, 10.1002/9780470143582.ch2
    • A. D. Buckingham, Adv. Chem. Phys. 0065-2385 12, 107 (1967). 10.1002/9780470143582.ch2
    • (1967) Adv. Chem. Phys. , vol.12 , pp. 107
    • Buckingham, A.D.1
  • 39
    • 0000189651 scopus 로고
    • 0021-9606, 10.1063/1.464913
    • A. D. Becke, J. Chem. Phys. 0021-9606 98, 5648 (1993). 10.1063/1.464913
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 40
    • 85153183803 scopus 로고    scopus 로고
    • 1434-1948, 10.1002/(SICI)1099-0682(199911)1999:11<1995::AID- EJIC1995>3.0.CO;2-E
    • C. Lauterbach and J. Fabian, Eur. J. Inorg. Chem. 1434-1948 1999, 1995. 10.1002/(SICI)1099-0682(199911)1999:11<1995::AID-EJIC1995>3.0.CO;2-E
    • Eur. J. Inorg. Chem. , vol.1999 , pp. 1995
    • Lauterbach, C.1    Fabian, J.2
  • 43
    • 0001179334 scopus 로고    scopus 로고
    • 1050-2947, 10.1103/PhysRevA.53.3946
    • A. Ovchinnikov and J. K. Labanowski, Phys. Rev. A 1050-2947 53, 3946 (1996). 10.1103/PhysRevA.53.3946
    • (1996) Phys. Rev. A , vol.53 , pp. 3946
    • Ovchinnikov, A.1    Labanowski, J.K.2
  • 45
    • 70449111134 scopus 로고    scopus 로고
    • http://www.theochem.uni-stuttgart.de/pseudopotentials/clickpse.en.html
  • 47
    • 70449106615 scopus 로고    scopus 로고
    • VB2000, version 2.0(R3), SciNet Technologies, San Diego, CA, USA,.
    • J. Li, B. J. Duke, and R. McWeeny, VB2000, version 2.0(R3), SciNet Technologies, San Diego, CA, USA, 2009. http://www.vb2000.net.
    • (2009)
    • Li, J.1    Duke, B.J.2    McWeeny, R.3
  • 48
    • 1642469600 scopus 로고    scopus 로고
    • 0192-8651, 10.1002/(SICI)1096-987X(19980430)19:6<593::AID-JCC3>3.0. CO;2-M
    • E. D. Glendening and F. Weinhold, J. Comput. Chem. 0192-8651 19, 593 (1998). 10.1002/(SICI)1096-987X(19980430)19:6<593::AID-JCC3>3.0.CO;2-M
    • (1998) J. Comput. Chem. , vol.19 , pp. 593
    • Glendening, E.D.1    Weinhold, F.2
  • 50
    • 25344456131 scopus 로고
    • 0166-1280, 10.1016/0166-1280(91)90134-6
    • P. O. Löwdin, J. Mol. Struct.: THEOCHEM 0166-1280 229, 1 (1991). 10.1016/0166-1280(91)90134-6
    • (1991) J. Mol. Struct.: THEOCHEM , vol.229 , pp. 1
    • Löwdin, P.O.1
  • 54
    • 36148931496 scopus 로고
    • 0003-3804, 10.1016/0003-4916(74)90333-9
    • N. Douglas and N. M. Kroll, Ann. Phys. 0003-3804 82, 89 (1974). 10.1016/0003-4916(74)90333-9
    • (1974) Ann. Phys. , vol.82 , pp. 89
    • Douglas, N.1    Kroll, N.M.2
  • 55
    • 26544478463 scopus 로고
    • 1050-2947, 10.1103/PhysRevA.33.3742
    • B. A. Hess, Phys. Rev. A 1050-2947 33, 3742 (1986). 10.1103/PhysRevA.33. 3742
    • (1986) Phys. Rev. A , vol.33 , pp. 3742
    • Hess, B.A.1
  • 59
    • 17544369194 scopus 로고    scopus 로고
    • Computation of conical intersections by using perturbation techniques
    • DOI 10.1063/1.1866096, 104107
    • L. Serrano-Andŕs, M. Merchán, and R. Lindh, J. Chem. Phys. 0021-9606 122, 104107 (2005). 10.1063/1.1866096 (Pubitemid 40552398)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.10 , pp. 1-10
    • Serrano-Andrs, L.1    Merchan, M.2    Lindh, R.3
  • 60
    • 0345491105 scopus 로고
    • 0163-1829, () 10.1103/PhysRevB.37.785;, J. Chem. Phys. 0021-9606 98, 1372 (1993). 10.1063/1.464304
    • C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 0163-1829 37, 785 (1988) 10.1103/PhysRevB.37.785; A. D. Becke, J. Chem. Phys. 0021-9606 98, 1372 (1993). 10.1063/1.464304
    • (1988) Phys. Rev. B , vol.37 , pp. 785
    • Lee, C.1    Yang, W.2    Parr, R.G.3    Becke, A.D.4
  • 61
    • 31144454180 scopus 로고    scopus 로고
    • Semiempirical hybrid density functional with perturbative second-order correlation
    • DOI 10.1063/1.2148954, 034108
    • S. Grimme, J. Chem. Phys. 0021-9606 124, 034108 (2006). 10.1063/1.2148954 (Pubitemid 43133751)
    • (2006) Journal of Chemical Physics , vol.124 , Issue.3 , pp. 1-16
    • Grimme, S.1
  • 62
    • 4243553426 scopus 로고
    • 1050-2947, 10.1103/PhysRevA.38.3098
    • A. D. Becke, Phys. Rev. A 1050-2947 38, 3098 (1988). 10.1103/PhysRevA.38. 3098
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.D.1
  • 63
    • 12444311769 scopus 로고    scopus 로고
    • Reduced-size polarized basis sets for calculations of molecular electric properties. I. the basis set generation
    • DOI 10.1002/jcc.20149
    • Z. Benkova, A. J. Sadlej, R. E. Oakes, and S. E. J. Bell, J. Comput. Chem. 0192-8651 26, 145 (2005). 10.1002/jcc.20149 (Pubitemid 40145947)
    • (2005) Journal of Computational Chemistry , vol.26 , Issue.2 , pp. 145-153
    • Benkova, Z.1    Sadlej, A.J.2    Oakes, R.E.3    Bell, S.E.J.4
  • 64
    • 18744394611 scopus 로고    scopus 로고
    • Reduced-size polarized basis sets for calculations of molecular electric properties. III. Second-row atoms
    • DOI 10.1007/s00214-005-0632-5
    • Z. Benkova, A. J. Sadlej, R. E. Oakes, and S. E. J. Bell, Theor. Chem. Acc. 1432-881X 113, 238 (2005). 10.1007/s00214-005-0632-5 (Pubitemid 40675019)
    • (2005) Theoretical Chemistry Accounts , vol.113 , Issue.4 , pp. 238-247
    • Benkova, Z.1    Sadlej, A.J.2    Oakes, R.E.3    Bell, S.E.J.4
  • 66
    • 33746614482 scopus 로고
    • 0021-9606, 10.1063/1.456153
    • T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 90, 1007 (1989). 10.1063/1.456153
    • (1989) J. Chem. Phys. , vol.90 , pp. 1007
    • Dunning Jr., T.H.1
  • 69
    • 26444569404 scopus 로고    scopus 로고
    • Systematically convergent basis sets for transition metals. II. Pseudopotential-based correlation consistent basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements
    • DOI 10.1007/s00214-005-0681-9
    • K. A. Peterson and C. Puzzarini, Theor. Chem. Acc. 1432-881X 114, 283 (2005). 10.1007/s00214-005-0681-9 (Pubitemid 41430492)
    • (2005) Theoretical Chemistry Accounts , vol.114 , Issue.4-5 , pp. 283-296
    • Peterson, K.A.1    Puzzarini, C.2
  • 70
    • 14544269397 scopus 로고    scopus 로고
    • Energy-consistent pseudopotentials for group 11 and 12 atoms: Adjustment to multi-configuration Dirac-Hartree-Fock data
    • DOI 10.1016/j.chemphys.2004.10.005
    • D. Figgen, G. Rauhut, M. Dolg, and H. Stoll, Chem. Phys. 0301-0104 311, 227 (2005). 10.1016/j.chemphys.2004.10.005 (Pubitemid 40298945)
    • (2005) Chemical Physics , vol.311 , Issue.1-2 SPEC.ISS. , pp. 227-244
    • Figgen, D.1    Rauhut, G.2    Dolg, M.3    Stoll, H.4
  • 75
    • 33947332510 scopus 로고
    • 0002-7863, 10.1021/ja00974a031
    • A. L. Bach and R. H. Holm, J. Am. Chem. Soc. 0002-7863 88, 5201 (1966). 10.1021/ja00974a031
    • (1966) J. Am. Chem. Soc. , vol.88 , pp. 5201
    • Bach, A.L.1    Holm, R.H.2
  • 76
    • 0002304396 scopus 로고
    • 10.1016/S0020-1693(00)86369-0
    • R. Benedix and H. Hennig, Inorg. Chem. Acta 141, 21 (1988). 10.1016/S0020-1693(00)86369-0
    • (1988) Inorg. Chem. Acta , vol.141 , pp. 21
    • Benedix, R.1    Hennig, H.2
  • 84
    • 0037027436 scopus 로고    scopus 로고
    • Dipole moments calculations of transition metal mononitrides: ScN, TiN, VN, and CrN: Limits of the CCSD(T) method
    • DOI 10.1002/qua.10323, Dedicated to Josef Stanislaw Kawiakowski
    • B. Jansík, V. Kellö, and M. Urban, Int. J. Quantum Chem. 0020-7608 90, 1240 (2002). 10.1002/qua.10323 (Pubitemid 35226286)
    • (2002) International Journal of Quantum Chemistry , vol.90 , Issue.3 , pp. 1240-1248
    • Jansik, B.1    Kello, V.2    Urban, M.3
  • 87
    • 0035148269 scopus 로고    scopus 로고
    • Electric properties of urea and thiourea
    • DOI 10.1063/1.1328398
    • T. Pluta and A. J. Sadlej, J. Chem. Phys. 0021-9606 114, 136 (2001). 10.1063/1.1328398 (Pubitemid 32088368)
    • (2001) Journal of Chemical Physics , vol.114 , Issue.1 , pp. 136-146
    • Pluta, T.1    Sadlej, A.J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.