Reference of 1074-36-8, Chemistry, like all the natural sciences, begins with the direct observation of nature— in this case, of matter. 1074-36-8, Name is 4-Mercaptobenzoic acid, SMILES is O=C(O)C1=CC=C(S)C=C1, molecular formula is C7H6O2S, belongs to thiomorpholine compound. In an article, author is Nuzhdin, KB, introduce new discover of the category.
Structure of radical cations of saturated heterocyclic compounds with two heteroatoms as studied by electron paramagnetic resonance, electron – Nuclear double resonance, and density functional theory calculations
The radical cations of piperazine, morpholine, thiomorpholine, and thioxane were investigated by electron paramagnetic resonance (EPR) and electron-nuclear double resonance (ENDOR) spectroscopy in a solid Freon matrix. Optimized geometry and magnetic parameters of the radical cations were calculated using a density functional theory (DFT)/Perdew-Burke-Ernzerhof (PBE) method. Both experimental and theoretical results suggest that all the studied species adopt chair (or distorted chair) conformations. No evidence for the boat conformers with intramolecular sigma*-bonding between heteroatoms were obtained. In the cases of morpholine and thioxane, the oxygen atoms are characterized by relatively small spin populations, whereas a major part of spin density is located at N and S atoms, respectively. The thiomorpholine radical cation exhibits nearly equal spin population of N and S atoms. In most cases (except for thioxane), the calculated magnetic parameters agree with the experimental data reasonably well.
The result showed that such a combination of chemo- and biocatalysis improved the catalytic yield more than two times compared with that of sole metal catalysis.If you’re interested in learning more about 1074-36-8. The above is the message from the blog manager. Reference of 1074-36-8.
Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem