XRD-DFA Analysis of data on discrete units of micro-molecules: Applied on C52H60N4S8Zn2

X-ray diffraction (XRD) technique due to it s strength for providing visualized atomic model of molecules, stands as first in the field of characterization of new synthesized molecules. Here, the analysis of diffraction data on discrete units of new, not yet fairly known structure of molecule $rm C_{52} H_{60} N_4 S_8 Zn_2$ is performed to obtain a quantitative view of the structure of the system. Some note about the layer shape of the moleucle is mentioned. First, a qualitative discussion of the type of intra-molecular order is given. Then, the nano-particle s size definitions, via different approaches of coherence, correlation, etc are addressed. Each of the different defined values is obtained and difference between them and their interpretation will be discussed. Debye function analysis (DFA) is employed to approximate the radius of gyration, as another approach for estimating particle s size. Results of different defined values, the radius of gyration, approximate coherence length are estimated and decision on the size of molecule is made. These analyses will provide us some neat picture of different definitions of size of nano-systems, which lacks clearance in the literature.

Keywords:

X-ray diffraction , Debye function analysis (DFA) , Micro-molecule