The Study Of Small Organic Molecules Aggregate Structure Spectroscopy

Molecular aggregates, is due to their weak interaction between different molecules and formed original structure. Molecular materials with good crystallization due to the weak interaction rules and orderly arranged together. In this paper, we aim at the two types of organic molecules, namely, organic aerosol bulk and optical function organic molecule.They make full use of the fingerprint spectrum characteristics of infrared and Raman spectroscopy, and analyze the dynamic steady state structure, enrich understanding of the structure-activity relationship of optical function organic material and the most primitive mechanism of haze particles.(1) The infrared and Raman spectra of isoprene, alpha pinene and beta pinene, we obtained them from the theoretical calculation and experimental measurement. We compared them and found that a single molecular theoretical calculation of isoprene and alpha pinene is accord well with the experimental spectra. This may cause by monomer molecules which mostly exist in the liquid. However, the theoretical calculation vibrational spectra of a single molecule of beta pinene are not coincident with the experiment spectra. But the bimolecular vibration spectra beta pinene is accord well with the experimental spectra. In the same way, this may be caused by the dimeric existing in the liquid.In recent years, with the development of national economy, environmental problems become more and more serious, the content of air pollutants increases, atmospheric haze pollution has affected people’s health and daily life seriously, it has become a common problem for humanity. There is a natural source of volatile organic compounds in organic pollutants accounted for a high proportion in the haze. This paper chooses isoprene, alpha pinene and beta pinene, and studied their spectrum. It will be provided fine identification of fingerprints basis for the chemical composition of the haze particles.(2) In view of the multi- functional properties of porphyrin molecules, this paper study the spectral properties of zinc porphyrin. On the basis of the star molecular porphyrin, we prepared one-dimensional ordered growth of clavate of zinc porphyrin andtwo-dimensional ordered growth of sheet of zinc porphyrin. Through the comparative study of the structural spectroscopy data of the disordered accumulation of zinc porphyrin,it is found that the aggregates of the ordered aggregates exhibit different spectral characteristics. This paper further studied the interaction between the porphyrin molecular aggregates and the silver nanoparticles by surface enhanced Raman spectroscopy. Zinc porphyrin is a type of photoelectric materials, people often make use of its unique electronic structure and optical properties to design and synthesis optoelectronic functional materials. In optoelectronic devices, it had achieved significant progress. Zinc porphyrin exists widely in the nature and living organisms, and it plays an important part in the process of life. In this paper, the spectral properties of zinc porphyrin with different aggregation forms were studied.In summary, this thesis is studying spectral characteristics of different organic molecular aggregates through theoretical calculation and experimental research, and we discussed the spectroscopic properties of isoprene, alpha pinene, beta pinene and zinc porphyrin aggregates, which provided provides a new perspective basic properties for atmospheric haze, optoelectronic materials research and microscopic structure-activity relationship.