Reference of 19847-12-2, Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, 19847-12-2, Name is Pyrazinecarbonitrile, SMILES is N#CC1=NC=CN=C1, belongs to Pyrazines compound. In a article, author is Li, Hui, introduce new discover of the category.
Theoretical study of switching characteristics of molecular tweezers based on bis(Zn-salphen)
A series of novel tweezers based on bis(Zn-salphen) complex is theoretically studied. Density functional theory (DFT) method is used to investigate the switchable properties of terpy/bis(Zn-salphen) complex (1, terpy=2,2 ‘:6 ‘,2 ”-terpyridine) and Br-phtpy/bis(Zn-salphen) complex (2, Br-phtpy=4 ‘-bromophenyl-2,2 ‘:6 ‘,2 ”-terpyridine). In this study, the free tweezers1and2can be converted from a W open form to a U closed form upon Ru(III) coordination. The switching performances were characterized by(1)H NMR and absorption spectra. DFT calculations were carried out using a B3LYP-D3 functional and def2-SVP basis set for all atoms.H-1 NMR spectra showed that terpyridine protons had an obvious upfield shift during complexation with RuCl3. The absorption spectrum was observed in the closed tweezers with a significant red shift and a decreased oscillator strength. In addition, the tweezers were reopened by introducing molecule pyrazine in the U-shaped conformation to form a host-guest system. The recognition ability of two Zn-salphen complexes was studied by geometrical optimization and absorption spectra.
Reference of 19847-12-2, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 19847-12-2.