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Volumn 16, Issue 5, 2006, Pages 452-461

Ring effect on helical twisting power of optically active mesogenic esters derived from benzene, bicyclo[2.2.2]octane and p-carborane carboxylic acids

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; CARBOXYLIC ACIDS; CONFORMATIONS; NEMATIC LIQUID CRYSTALS; OLEFINS;

EID: 33644655927     PISSN: 09599428     EISSN: 13645501     Source Type: Journal    
DOI: 10.1039/b512319d     Document Type: Article
Times cited : (42)

References (67)
  • 1
    • 0004091130 scopus 로고    scopus 로고
    • ed. H.-S. Kitzerow and C. Bahr, Springer, New York
    • Chirality in Liquid Crystals, ed. H.-S. Kitzerow and C. Bahr, Springer, New York, 2001
    • (2001) Chirality in Liquid Crystals
  • 2
    • 0004091130 scopus 로고    scopus 로고
    • ed. H.-S. Kitzerow and C. Bahr, Springer, New York, pp. 67-100, and references therein
    • H.-G. Kubal and T. Höfer, in Chirality in Liquid Crystals, ed. H.-S. Kitzerow and C. Bahr, Springer, New York, 2001, pp. 67-100, and references therein
    • (2001) Chirality in Liquid Crystals
    • Kubal, H.-G.1    Höfer In, T.2
  • 23
    • 0001020996 scopus 로고
    • Steroids are typically large, planar and rigid polycyclic systems and therefore their HTP is substantial. For example see:
    • H. Finkelmann H. Stegemeyer Ber. Bunsen-Ges. Phys. Chem. 1978 82 1302 1308
    • (1978) Ber. Bunsen-Ges. Phys. Chem. , vol.82 , pp. 1302-1308
    • Finkelmann, H.1    Stegemeyer, H.2
  • 26
    • 0003888227 scopus 로고
    • G. W. Gray, Wiley, New York, pp. 120-144, and references therein
    • D. G. McDonnell, in Thermotropic Liquid Crystals, ed., G. W. Gray, Wiley, New York, 1987, pp. 120-144, and references therein
    • (1987) Thermotropic Liquid Crystals, Ed.
    • McDonnell, D.G.1
  • 40
    • 0003872521 scopus 로고    scopus 로고
    • D. Demus, J. Goodby, G. W. Gray, H.-W. Spiess and V. Vill, Wiley-VCH, Weinheim, p. 309
    • The sense of the helix (whether left- or right-handed) is of no significance to this work. Nevertheless, the helices generated by additive 1 are expected to be left-handed, based on empirical rules described in Booth, C. J. in Handbook of Liquid Crystals, ed., D. Demus, J. Goodby, G. W. Gray, H.-W. Spiess and V. Vill, Wiley-VCH, Weinheim, 1998, vol. 2A, p. 309
    • (1998) Handbook of Liquid Crystals, Ed.
  • 41
    • 0347417038 scopus 로고    scopus 로고
    • Quantum-mechanical calculations were carried out using Gaussian 98 suite of programs. Geometry optimizations were undertaken at the B3LYP/6-31G(d) and MP2/6-31G(d) levels of theory using appropriate symmetry constraints and tight convergence limits. The rotational transition states were located using the QST2 keyword. Thermodynamic correction parameters were obtained at the B3LYP/6-31G(d). Zero-point energy (ZPE) corrections were scaled by 0.9806. Gaussian 98, Revision A.7
    • L. Kutulya V. Vashchensko G. Semenkova N. Shkolnikova Mol. Cryst. Liq. Cryst. 1999 331 583 591
    • (1999) Mol. Cryst. Liq. Cryst. , vol.331 , pp. 583-591
    • Kutulya, L.1    Vashchensko, V.2    Semenkova, G.3    Shkolnikova, N.4
  • 49
    • 59949094392 scopus 로고    scopus 로고
    • D. M. P. Mingos, Springer, Berlin, pp. 139-197, and references therein
    • W. Haase and M. A. Athanassopoulou, in Structure and Bonding, ed., D. M. P. Mingos, Springer, Berlin, 1999, vol. 94, pp. 139-197, and references therein
    • (1999) Structure and Bonding, Ed.
    • Haase, W.1    Athanassopoulou In, M.A.2
  • 50
    • 33644659973 scopus 로고    scopus 로고
    • The calculated slightly negative enthalpy of activation reflects a general deficiency of the DFT methods in precise calculation of low frequency vibrational modes
    • The calculated slightly negative enthalpy of activation reflects a general deficiency of the DFT methods in precise calculation of low frequency vibrational modes
  • 54
    • 33644662076 scopus 로고    scopus 로고
    • The geometrical parameters for each ring were calculated (HF/6-31G(d)) and corrected for H and C (benzene) van der Waals radii (1.2 Å and 1.7 Å respectively): A: d = 7.43 Å, B: d = 6.72Å, C: d = 6.66 Å
    • The geometrical parameters for each ring were calculated (HF/6-31G(d)) and corrected for H and C (benzene) van der Waals radii (1.2 Å and 1.7 Å respectively): A: d = 7.43 Å, B: d = 6.72Å, C: d = 6.66 Å
  • 55
    • 33644651971 scopus 로고    scopus 로고
    • A. Januszko, K. L. Glab, P. Kaszynski. Patel, P.-C. Chen, G. Mehl and M. D. Wand, unpublished results
    • A. Januszko, K. L. Glab, P. Kaszynski. Patel, P.-C. Chen, G. Mehl and M. D. Wand, unpublished results
  • 60
    • 0003872521 scopus 로고    scopus 로고
    • D. Demus, J. Goodby, G. W. Gray, H.-W. Spiess and V. Vill, Wiley-VCH, New York, pp. 123-129
    • J. W. Goodby, in Handbook of Liquid Crystals, ed., D. Demus, J. Goodby, G. W. Gray, H.-W. Spiess and V. Vill, Wiley-VCH, New York, 1998, vol. 1, pp. 123-129
    • (1998) Handbook of Liquid Crystals, Ed.
    • Goodby In, J.W.1
  • 61
    • 33644659418 scopus 로고    scopus 로고
    • 3h-symmetric
    • 3h-symmetric


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.