Normal vibrations and force constants of polymethylene chain
Normal vibrations and force constants of polymethylene chain
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聚亚甲基链的法向振动和力常数
DOI：
10.1016/0022-2852(62)90236-9
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发表时间：
1962
影响因子：
1.4
通讯作者：
T. Miyazawa
中科院分区：
文献类型：
--
作者：
M. Tasumi;T. Shimanouchi;T. Miyazawa
讨论了无限聚亚甲基链在扩展构象中的简正振动。无限阶的G和F矩阵可以归结为有限阶的g(δ)和f(δ)矩阵，对应于相邻两个亚甲基基团之间的相位差(δ)。将观测到的长链烷烃和聚乙烯的振动频率与按不同相差计算的聚亚甲基链的振动频率进行了比较，并对它们的归属进行了讨论。根据目前的振动归属，对Urey-Bradley力场进行了修正。
Normal vibrations of an infinite polymethylene chain in the extended conformation have been treated. The G and F matrices of infinite order may be reduced to theG(δ) andF(δ) matrices of finite order corresponding to the phase difference (δ) between two adjacent methylene groups. The observed vibrational frequencies of long-chainn-paraffins and of polyethylene are compared with the frequencies of polymethylene chain calculated for various phase differences and their assignments have been discussed. A modification of the Urey-Bradley force field has been made in accordance with the present vibrational assignments.