VIBRATIONAL ANALYSIS OF REDUCED AND OXIDIZED FORMS OF POLYANILINE

被引:27
作者
QUILLARD, S [1 ]
LOUARN, G [1 ]
BUISSON, JP [1 ]
LEFRANT, S [1 ]
MASTERS, J [1 ]
MACDIARMID, AG [1 ]
机构
[1] UNIV PENN,DEPT CHEM,PHILADELPHIA,PA 19104
关键词
D O I
10.1016/0379-6779(93)90977-5
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
In this paper, we present dynamic calculations of vibrational modes of two forms of polyaniline : the fully reduced form (Leucoemeraldine Base) and the fully oxidized form (Pernigraniline Base). Our model is based on the use of force constants to provide an interpretation of experimental frequencies obtained by Resonant Raman Scattering and infrared absorption. In order to obtain the best set of parameters, we have performed calculations on both polymers and model compounds. Our model leads to a good fit between experimental and calculated frequencies, also we present the main force constants which are in agreement with previous works performed on similar aromatic structures.
引用
收藏
页码:475 / 480
页数:6
相关论文
共 9 条
  • [1] Dos Santos M. C., 1989, Synthetic Metals, V29, P321, DOI 10.1016/0379-6779(89)90313-5
  • [2] ECKHARDT H, 1990, CONJUGATED POLYM MAT, V305
  • [3] Green A. G., 1910, J CHEM SOC, V97, P2388
  • [4] Aniline-black and allied compounds Part II
    Green, AG
    Woodhead, AE
    [J]. JOURNAL OF THE CHEMICAL SOCIETY, 1912, 101 : 1117 - 1123
  • [5] EXPERIMENTAL AND THEORETICAL INVESTIGATION OF THE VIBRATIONAL PROPERTIES OF POLY(THIENYLENE VINYLENE) (PTV) AND POLY(FURYLENE VINYLENE) (PFV)
    MEVELLEC, JY
    BUISSON, JP
    LEFRANT, S
    ECKHARDT, H
    [J]. SYNTHETIC METALS, 1991, 41 (1-2) : 283 - 286
  • [6] AN INPLANE FORCE-FIELD FOR PARA-BENZOQUINONE AND SOME STRUCTURALLY RELATED MOLECULES
    PIETILA, LO
    PALMO, K
    MANNFORS, B
    [J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1986, 116 (01) : 1 - 16
  • [7] QUILLARD S, 1992, IN PRESS SYNTH MET
  • [8] QUILLARD S, 1992, SPRINGER SERIES SOLI, V107, P271
  • [9] RAY A, 1989, SYNTHETIC MET, V29, P151