While the job of a research scientist varies, most chemistry careers in research are based in laboratories, where research is conducted by teams following scientific methods and standards. 3034-86-4, Name is Methyl 4-ethynylbenzoate, molecular formula is C10H8O2, belongs to isothiazole compound. In a document, author is Hegelund, F., introduce the new discover, Name: Methyl 4-ethynylbenzoate.
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 v(9)(A’) and v(13)(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. (c) 2005 Elsevier B.V. All rights reserved.
Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield. If you are hungry for even more, make sure to check my other article about 3034-86-4, Name: Methyl 4-ethynylbenzoate.
Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com