Investigation of polyethylene helical conformations:: Theoretical study by vibrational Raman optical activity

被引:14
|
作者
Liegeois, Vincent [1 ]
Quinet, Olivier [1 ]
Champagne, Benoit [1 ]
机构
[1] Fac Univ Notre Dame Paix, Lab Chim Theor Appl, B-5000 Namur, Belgium
关键词
vibrational Raman optical activity; polyethylene; helicity; theoretical simulations;
D O I
10.1002/qua.21054
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Using theoretical simulations on polyethylene segments, it is demonstrated that vibrational Raman optical activity is highly sensitive to helicity, more than the conventional Raman technique. Therefore, it can be used to probe helicity and conformations of synthetic polymers. (c) 2006 Wiley Periodicals, Inc.
引用
收藏
页码:3097 / 3107
页数:11
相关论文
共 50 条
  • [31] Absolute configuration of bromochlorofluoromethane from experimental and ab initio theoretical vibrational Raman optical activity
    Costante, J
    Hecht, L
    Polavarapu, PL
    Collet, A
    Barron, LD
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1997, 36 (08): : 885 - 887
  • [32] Absolute Configuration of Bromochlorofluoromethane from Experimental and Ab Initio Theoretical Vibrational Raman Optical Activity
    Department of Chemistry, Vanderbilt University, Nashville, TN 37235, United States
    不详
    不详
    Angew Chem (Int Ed Engl), 8 (885-887):
  • [33] OPTICAL-ACTIVITY IN VIBRATIONAL TRANSITIONS - VIBRATIONAL CIRCULAR-DICHROISM AND RAMAN OPTICAL-ACTIVITY
    NAFIE, LA
    DIEM, M
    ACCOUNTS OF CHEMICAL RESEARCH, 1979, 12 (08) : 296 - 302
  • [34] Combined Experimental and Theoretical Study on the Raman and Raman Optical Activity Signatures of Pentamethylundecane Diastereoisomers
    Drooghaag, Xavier
    Marchand-Brynaert, Jacqueline
    Champagne, Benoit
    Liegeois, Vincent
    JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 114 (36): : 11753 - 11760
  • [35] A Vibrational Raman Optical Activity Study of 1,1′-Binaphthyl Derivatives
    Liegeois, Vincent
    CHEMPHYSCHEM, 2009, 10 (12) : 2017 - 2025
  • [36] Basis Set Dependence of Vibrational Raman and Raman Optical Activity Intensities
    Cheeseman, James R.
    Frisch, Michael J.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2011, 7 (10) : 3323 - 3334
  • [37] Ab initio calculation of vibrational Raman optical activity
    Pecul, M
    Ruud, K
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2005, 104 (05) : 816 - 829
  • [38] VIBRATIONAL RAMAN OPTICAL-ACTIVITY OF KETOSE MONOSACCHARIDES
    BELL, AF
    HECHT, L
    BARRON, LD
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1995, 51 (08) : 1367 - 1378
  • [39] Origin invariance in vibrational resonance Raman optical activity
    Vidal, Luciano N.
    Egidi, Franco
    Barone, Vincenzo
    Cappelli, Chiara
    JOURNAL OF CHEMICAL PHYSICS, 2015, 142 (17):
  • [40] Polysaccharide vibrational Raman optical activity: Laminarin and pullulan
    Bell, AF
    Hecht, L
    Barron, LD
    JOURNAL OF RAMAN SPECTROSCOPY, 1995, 26 (12) : 1071 - 1074