Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 676-96-0, is researched, SMILESS is CP(C)(C)=O, Molecular C3H9OPJournal, Article, Journal of Chemical Physics called Local-structure effects on 31P NMR chemical shift tensors in solid state, Author is Chernyshov, Ivan Yu.; Vener, Mikhail V.; Shenderovich, Ilya G., the main research direction is solid state NMR chem shift tensor local structure.Reference of Trimethylphosphineoxide.
The effect of the local structure on the 31P NMR chem. shift tensor (CST) has been studied exptl. and simulated theor. using the d. functional theory gauge-independent-at.-orbital approach. It has been shown that the dominating impact comes from a small number of noncovalent interactions between the phosphorus-containing group under question and the atoms of adjacent mols. These interactions can be unambiguously identified using the Bader anal. of the electronic d. A robust and computationally effective approach designed to attribute a given exptl. 31P CST to a certain local morphol. has been elaborated. This approach can be useful in studies of surfaces, complex mol. systems, and amorphous materials. (c) 2019 American Institute of Physics.
Here is just a brief introduction to this compound(676-96-0)Reference of Trimethylphosphineoxide, more information about the compound(Trimethylphosphineoxide) is in the article, you can click the link below.
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Isoxazole – Wikipedia,
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