论文部分内容阅读
我们计算了ｐｏｌｙ（ｄＴ）·ｐｏｌｙ（ｄＡ）·ｐｏｌｙ（ｄＴ）的Ｈｏｗａｒｄ模型的原子笛卡尔坐标，并利用晶格动力学方法对模型进行了简正分析。结果发现其０Ｐ０对称振动模式位于８０４ｃｍ－１，这和８１０ｃｍ－１附近没有拉曼和红外谱线的实验结果不符。在８００～１０００ｃｍ－１的范围内只有四个振动模式，明显少于拉曼和红外光谱在该范围内的谱线数目。所以我们认为Ｈｏｗａｒｄ模型需要进一步地完善和修正，ｐｏｌｙ（ｄＴ）·ｐｏｌｙ（ｄＡ）·ｐｏｌｙ（ｄＴ）必须具有三条不完全一致的脊骨
We calculate the atomic Cartesian coordinates of the Howard model of poly (dT) · poly (dA) · poly (dT) and make a simple analysis of the model using the lattice dynamics method. The results show that the 0P0 symmetric vibration mode is located at 804cm-1, which is inconsistent with the experimental results of no Raman and infrared spectra near 810cm-1. There are only four vibrational modes in the range of 800-1000 cm-1, which is significantly less than the number of lines in the Raman and IR spectra within this range. So we think the Howard model needs to be further refined and modified. The poly (dT) · poly (dA) · poly (dT) must have three incompletely matched spines