Chemistry is an experimental science, and the best way to enjoy it and learn about it is performing experiments. Recommanded Product: 288-16-4. Introducing a new discovery about 288-16-4, Name is Isothiazole
High-resolution infrared analysis of seven fundamental bands of gaseous isothiazole between 750 and 1500 cm-1
The gas phase IR spectrum of isothiazole, C3H3NS, between 550 and 1700 cm-1 was recorded with a resolution of ca. 0.003 cm-1. The rotational structure of seven fundamental bands in the region 750-1500 cm-1 has been assigned and analysed by the Watson Hamiltonian model. A number of local resonances in the bands have been identified and explained qualitatively in terms of Coriolis interactions. For each band upper state spectroscopic constants, including band center, rotational constants, and quartic centrifugal distortion constants are given. From observed crossings due to resonances we locate the weak bands nu9(A?) and nu13(A?) at 1041.9(2) and 642.0(3) cm-1, respectively. The anharmonic frequencies have been determined using a cc-pVTZ basis set, at the MP2 and B3LYP levels; the two theoretical methods give very similar results for rotational constants, anharmonic band center frequencies and distortion constants, and many of these are in good agreement with experiment.
Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. Recommanded Product: 288-16-4, If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 288-16-4, in my other articles.
Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com