Related Products of 288-16-4, Because a catalyst decreases the height of the energy barrier, its presence increases the reaction rates of both the forward and the reverse reactions by the same amount.288-16-4, Name is Isothiazole, molecular formula is C3H3NS. In a article£¬once mentioned of 288-16-4
THE MOLECULAR STRUCTURE OF ISOTHIAZOLE FROM ELECTRON DIFFRACTION AND AB INITIO CALCULATIONS
The molecular structure of isothiazole (<*>SNCHCHCH<*>) has been determined by gas electron diffraction and by ab initio calculations.The molecule was assumed to be planar on the basis of the small inertial defect obtained by earlier microwave studies.The following bond lengths (rg)and bond angles were obtained: S-N 1.642+/-0.005, S-C 1.702+/-0.005, N=C 1.319+/-0.003, C-C 1.436+/-0.003, C=C 1.388+/-0.003, (C-H)mean 1.102+/-0.003 Angstroem, C-S-N 96.1+/-0.2, S-N=C 112.2+/-0.3, N=C-C 111.8+/-0.4, C-C=C 113.8+/-0.4, C=C-S 106.2+/-0.3 deg.The principal moments of inertia calculated from the present electron diffraction geometry are in excellent agreement with those from the microwave studies.The Gaussian 82 program with a 3-21G* basis set (with six d orbitals on sulfur) was used to derive the geometry from ab initio calculations.These calculations facilitated model selection in the electron diffraction analysis.There is a good overall agreement between experimental and computed structures.
A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 288-16-4
Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com