메뉴 건너뛰기




Volumn 134, Issue 6, 2011, Pages

Density functional theory and Raman spectroscopy applied to structure and vibrational mode analysis of 1,1′,3,3′-tetraethyl-5,5′,6, 6′-tetrachloro-benzimidazolocarbocyanine iodide and its aggregate

Author keywords

[No Author keywords available]

Indexed keywords

BOND ANGLE; BOND DISTANCE; DENSITY-FUNCTIONAL CALCULATIONS; ELECTRONIC TRANSITION; FREQUENCY REGIONS; IN-PLANE DEFORMATION; NON-RESONANCES; OUT-OF-PLANE; OUT-OF-PLANE DISTORTIONS; RAMAN BANDS; RAMAN FEATURE; RAMAN PEAK; RAMAN SCATTERING SPECTRA; RAMAN SPECTRA; RAMAN SPECTRUM; RESONANCE EXCITATION; SOLUTION PHASIS; SPECTRAL ASSIGNMENTS; SPECTROSCOPIC PROPERTY; STATE EQUILIBRIUM STRUCTURES; STRUCTURE CALCULATION; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; VIBRATIONAL FREQUENCIES; VIBRATIONAL MODES;

EID: 79951806901     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3535595     Document Type: Article
Times cited : (13)

References (49)
  • 3
    • 0017556290 scopus 로고
    • Aggregation of sensitizing dyes in solution and their adsorption onto silver halides
    • DOI 10.1016/0001-8686(77)80011-0
    • A. H. Herz, Adv. Colloid Interface Sci. 8, 237 (1977). 10.1016/0001-8686(77)80011-0 (Pubitemid 8559158)
    • (1977) Advances in Colloid and Interface Science , vol.8 , Issue.4 , pp. 237-298
    • Herz, A.H.1
  • 5
    • 34547281743 scopus 로고    scopus 로고
    • Electrolyte-induced mesoscopic aggregation of thiacarbocyanine dye in aqueous solution: Counterion size specificity
    • DOI 10.1021/jp070520h
    • H. Yao, T. Isohashi, and K. Kimura, J. Phys. Chem. B 111, 7176 (2007). 10.1021/jp070520h (Pubitemid 47152503)
    • (2007) Journal of Physical Chemistry B , vol.111 , Issue.25 , pp. 7176-7183
    • Yao, H.1    Isohashi, T.2    Kimura, K.3
  • 8
    • 0003127039 scopus 로고    scopus 로고
    • edited by T. Kobayashi (World Scientific, Singapore), and 181
    • H. Kuhn, C. Kuhn, and R. Gadonas, in J-aggregates, edited by, T. Kobayashi, (World Scientific, Singapore, 1996), pp. 1 and 181.
    • (1996) J-aggregates , pp. 1
    • Kuhn, H.1    Kuhn, C.2    Gadonas, R.3
  • 11
    • 0002835066 scopus 로고    scopus 로고
    • Structure and exciton emission dynamics of molecular aggregates: Cyanines and porphyrins, in, edited by T. Kobayashi (World Scientific, New Jersey), Cha III
    • D. L. Akins, Structure and exciton emission dynamics of molecular aggregates: Cyanines and porphyrins, in J-Aggregates, edited by, T. Kobayashi, (World Scientific, New Jersey, 1996), Chap. III, pp. 67-94.
    • (1996) J-Aggregates , pp. 67-94
    • Akins, D.L.1
  • 12
    • 0000920061 scopus 로고
    • 10.1021/j100399a014
    • D. L. Akins, J. Phys. Chem. 90, 1530 (1986). 10.1021/j100399a014
    • (1986) J. Phys. Chem. , vol.90 , pp. 1530
    • Akins, D.L.1
  • 13
    • 60649099657 scopus 로고
    • 10.1063/1.1701032
    • A. C. Albrecht, J. Chem. Phys. 34, 1476 (1961). 10.1063/1.1701032
    • (1961) J. Chem. Phys. , vol.34 , pp. 1476
    • Albrecht, A.C.1
  • 14
    • 0037198814 scopus 로고    scopus 로고
    • Density functional theory used in structure determinations and Raman band assignments for pseudoisocyanine and its aggregate
    • DOI 10.1021/jp025567b
    • C. Guo, M. Aydin, H.-R. Zhu, and D. L. Akins, J. Phys. Chem. B 106, 5447 (2002). 10.1021/jp025567b (Pubitemid 35281908)
    • (2002) Journal of Physical Chemistry B , vol.106 , Issue.21 , pp. 5447-5454
    • Guo, C.1    Aydin, M.2    Zhu, H.-R.3    Akins, D.L.4
  • 17
    • 0003981415 scopus 로고    scopus 로고
    • edited by K. B. Lipkowitz and D. B. Boyd (VCH Publishers, New York), Vol.
    • L. Bartolotti and J. Flurchick, in Review in Computational Chemistry, edited by, K. B. Lipkowitz, and, D. B. Boyd, (VCH Publishers, New York, 1996), Vol. 7.
    • (1996) Review in Computational Chemistry , vol.7
    • Bartolotti, L.1    Flurchick, J.2
  • 18
    • 4243553426 scopus 로고
    • 10.1103/PhysRevA.38.3098
    • A. D. Becke, Phys. Rev. A 38, 3098 (1988). 10.1103/PhysRevA.38.3098
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.D.1
  • 19
  • 20
    • 85022583881 scopus 로고
    • 10.1016/0009-2614(80)80628-2
    • M. S. Gordon, Chem. Phys. Lett. 76, 163 (1980). 10.1016/0009-2614(80) 80628-2
    • (1980) Chem. Phys. Lett. , vol.76 , pp. 163
    • Gordon, M.S.1
  • 21
    • 0343791148 scopus 로고
    • 10.1021/ja01299a050
    • L. Onsager, J. Am. Chem. Soc. 58, 1486 (1936). 10.1021/ja01299a050
    • (1936) J. Am. Chem. Soc. , vol.58 , pp. 1486
    • Onsager, L.1
  • 23
  • 25
    • 77951207060 scopus 로고    scopus 로고
    • 10.1016/j.vibspec.2010.02.001
    • M. Aydin and D. L. Akins, Vib. Spectrosc. 53, 163 (2010). 10.1016/j.vibspec.2010.02.001
    • (2010) Vib. Spectrosc. , vol.53 , pp. 163
    • Aydin, M.1    Akins, D.L.2
  • 28
    • 79951796775 scopus 로고    scopus 로고
    • See supplementary material at E-JCPSA6-134-055101 for calculated Raman and IR spectra of the trans- and cis-conformations of the TTBC cations in gas-phase and in methanol used as a solvent in addition to calculated bond distances and distances for trans-conformations
    • See supplementary material at http://dx.doi.org/10.1063/1.3535595 E-JCPSA6-134-055101 for calculated Raman and IR spectra of the trans- and cis-conformations of the TTBC cations in gas-phase and in methanol used as a solvent in addition to calculated bond distances and distances for trans-conformations.
  • 29
    • 0000058123 scopus 로고
    • 10.1107/S0567740872006958
    • D. L. Smith and H. R. Luss, Acta Cryst. B 28, 2793 (1972). 10.1107/S0567740872006958
    • (1972) Acta Cryst. B , vol.28 , pp. 2793
    • Smith, D.L.1    Luss, H.R.2
  • 30
    • 57749191713 scopus 로고    scopus 로고
    • 10.1016/j.chemphys.2008.11.005
    • D. Glen, O. Atasoylu, and S. zelik, Chem. Phys. 355, 73 (2009). 10.1016/j.chemphys.2008.11.005
    • (2009) Chem. Phys. , vol.355 , pp. 73
    • Glen, D.1    Atasoylu, O.2    Zelik, S.3
  • 35
    • 75449145408 scopus 로고
    • 10.2307/3571331
    • M. Kasha, Radiat. Res. 20, 55 (1963). 10.2307/3571331
    • (1963) Radiat. Res. , vol.20 , pp. 55
    • Kasha, M.1
  • 44
    • 0032487187 scopus 로고    scopus 로고
    • Superradiant lasing from J-aggregated molecules adsorbed onto colloidal silver
    • DOI 10.1063/1.122563, PII S0003695198031404
    • S. Ozcelik and D. L. Akins, Appl. Phys. Lett. 73, 1949 (1998). 10.1063/1.122563 (Pubitemid 128672033)
    • (1998) Applied Physics Letters , vol.73 , Issue.14 , pp. 1949-1951
    • Ozcelik, S.1    Ozcelik, I.2    Akins, D.L.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.