Determine The Structures Of Small Organic Molecules With Ruthenium Porphyrins By X-ray

X-ray diffraction is a direct and reliable method for determining a molecular structure. Therefore, determination of molecular structure via X-ray diffraction method attracts scientists’ attention. Using the X-ray diffraction method has certain limitations: sample should be cultivated monocrystal, meanwhile monocrystal requires good quality. Because of gas molecule、liquid molecule、flexible molecule and a small amount of sample, we hardly get the high quality monocrystal, and even no monocrystal could be obtained in an actual situation. In order to solve these problems, some small organic molecules complex with ruthenium porphyrin via coordination interaction were designed, then the complexes could be cultivated good monocrystals, and be determined the structure of the small molecules via the X-ray diffraction method. It will be important academic significance and application. Specific research content is listed as follows:1. Ruthenium porphyrin has a rigid large ring, and it is a strong lewis acid, which could form complexs via the central metal atom with some functional groups of the small organic molecules which is not easy to form a single crystal.2. Amino compounds were studied, which coordinated with ruthenium porphyrin strongly. The ruthenium porphyrin and small amine molecules could be coordinated in equivalent ratio of 1:1, and the reaction could finish directly in the NMR tube. Monitored with 1H NMR, ruthenium porphyrin complexed with small amine molecules in the form of 1:1. And the complex was very pure. The shielding effecting from porphyrin ring made the small molecules’ signal H to shift to high field. Subsequent single crystal was cultivated, keeping the sample in a quiet and dark place. After 1-4 weeks, a measurable and good monocrystal could be obtained. We had succeeded in determining a series of the structure of amines via X-ray single crystal diffraction method.3. Expanded the substrates to hydroxylalkane, aldehydes and ketones. Application of analyzing the natural products structure is more basis. We try to prepare the ruthenium porphyrin complexes with natural products containing unknown structure to parse the structures via X-ray single crystal diffraction method. The follow-up work is under way m our group.