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Volumn 137, Issue 18, 2012, Pages

Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch

Author keywords

[No Author keywords available]

Indexed keywords

AROMATICITIES; BASIS SETS; CONFORMATIONAL FLEXIBILITY; EXPANDED PORPHYRINS; EXTERNAL CONDITIONS; NON-LINEAR OPTICAL PROPERTIES; STATIC AND DYNAMIC; VIBRATIONAL CONTRIBUTIONS;

EID: 84876493619     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4765667     Document Type: Article
Times cited : (41)

References (99)
  • 1
    • 50549207291 scopus 로고
    • 10.1016/S0040-4039(01)89474-0
    • E. Heilbronner, Tetrahedron Lett. 5, 1923 (1964); 10.1016/S0040-4039(01) 89474-0
    • (1964) Tetrahedron Lett. , vol.5 , pp. 1923
    • Heilbronner, E.1
  • 4
    • 27744560565 scopus 로고    scopus 로고
    • 10.1021/cr030092l
    • H. S. Rzepa, Chem. Rev. 105, 3697 (2005); 10.1021/cr030092l
    • (2005) Chem. Rev. , vol.105 , pp. 3697
    • Rzepa, H.S.1
  • 10
    • 54149092737 scopus 로고    scopus 로고
    • 10.1021/ic800987f
    • H. S. Rzepa, Inorg. Chem. 47, 8932 (2008); 10.1021/ic800987f
    • (2008) Inorg. Chem. , vol.47 , pp. 8932
    • Rzepa, H.S.1
  • 21
    • 53549083545 scopus 로고    scopus 로고
    • 10.1002/anie.200705568
    • N. Jux, Angew. Chem., Int. Ed. 47, 2543 (2008); 10.1002/anie.200705568
    • (2008) Angew. Chem., Int. Ed. , vol.47 , pp. 2543
    • Jux, N.1
  • 54
    • 84876578424 scopus 로고    scopus 로고
    • GAUSSIAN 09, Revision B.1, Gaussian, Inc., Wallingford, CT
    • M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 09, Revision B.1, Gaussian, Inc., Wallingford, CT, 2009.
    • (2009)
    • Frisch, M.J.1    Trucks, G.W.2    Schlegel, H.B.3
  • 63
    • 21444433510 scopus 로고    scopus 로고
    • 10.1063/1.1899156
    • O. Christiansen, J. Chem. Phys. 122, 194105 (2005); 10.1063/1.1899156
    • (2005) J. Chem. Phys. , vol.122 , pp. 194105
    • Christiansen, O.1
  • 75
    • 0034325104 scopus 로고    scopus 로고
    • 10.1002/1097-461X(2000)80:3<471::AID-QUA173.0.CO;2-B
    • J. M. Luis, B. Champagne, and B. Kirtman, Int. J. Quantum Chem. 80, 471 (2000). 10.1002/1097-461X(2000)80:3<471::AID-QUA173.0.CO;2-B
    • (2000) Int. J. Quantum Chem. , vol.80 , pp. 471
    • Luis, J.M.1    Champagne, B.2    Kirtman, B.3
  • 77
    • 84876539023 scopus 로고    scopus 로고
    • See supplementary material at E-JCPSA6-137-062241 for Tables S1 and S2 that show the electronic and nuclear relaxation dipole moments and first hyperpolarizabilities of 1-H and 1-M, respectively. Table S3 displays the CAM-B3LYP6-31G electronic dipole moments and first hyperpolarizabilities of 1-H and 1-M calculated at gas phase and three different solvents
    • See supplementary material at http://dx.doi.org/10.1063/1.4765667 E-JCPSA6-137-062241 for Tables S1 and S2 that show the electronic and nuclear relaxation dipole moments and first hyperpolarizabilities of 1-H and 1-M, respectively. Table S3 displays the CAM-B3LYP6-31G electronic dipole moments and first hyperpolarizabilities of 1-H and 1-M calculated at gas phase and three different solvents.
  • 95
    • 1842691295 scopus 로고
    • 10.1021/ed064p561
    • R. G. Pearson, J. Chem. Educ. 64, 561 (1987); 10.1021/ed064p561
    • (1987) J. Chem. Educ. , vol.64 , pp. 561
    • Pearson, R.G.1
  • 98
    • 0000084778 scopus 로고    scopus 로고
    • 10.1021/ed076p267
    • R. G. Pearson, J. Chem. Educ. 76, 267 (1999); 10.1021/ed076p267
    • (1999) J. Chem. Educ. , vol.76 , pp. 267
    • Pearson, R.G.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.