Drozd M, Baran J
Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Okólna 2 Str., 50-422 Wrocław, Poland.
Spectrochim Acta A Mol Biomol Spectrosc. 2006 Jul;64(4):867-79. doi: 10.1016/j.saa.2005.08.017. Epub 2006 Feb 2.
Polarised IR-microscope spectra of C(NH(2))(3)*HSO(4) small single crystal samples were measured at room temperature. The spectra are discussed on the basis of oriented gas model approximation and group theory. The stretching nuOH vibration of the hydrogen bond with the Ocdots, three dots, centeredO distance of 2.603A gives characteristic broad AB-type absorption in the IR spectra. The changes of intensity of the AB bands in function of polariser angle are described. Detailed assignments for bands derived from stretching and bending modes of sulphate anions and guanidinium cations were performed. The observed intensities of these bands in polarised infrared spectra were correlated with theoretical calculation of directional cosines of selected transition dipole moments for investigated crystal. The vibrational studies seem to be helpful in understanding of physical and chemical properties of described compound and also in design of new complexes with exactly defined behaviors.
在室温下测量了C(NH(2))(3)*HSO(4)小单晶样品的偏振红外显微镜光谱。基于取向气体模型近似和群论对光谱进行了讨论。氢键的伸缩νOH振动,其O(三个点)中心O距离为2.603埃,在红外光谱中给出特征性的宽AB型吸收。描述了AB带强度随偏振器角度的变化。对源自硫酸根阴离子和胍阳离子的伸缩和弯曲模式的谱带进行了详细归属。在偏振红外光谱中观察到的这些谱带强度与所研究晶体选定跃迁偶极矩的方向余弦的理论计算相关。振动研究似乎有助于理解所述化合物的物理和化学性质,也有助于设计具有精确确定行为的新配合物。