This post introduces NMR basics, focusing on the analysis and interpretation of the 1-D 1H and 13C NMR spectra. An overview of NMR basics, including principles, is available on the JEOL website. ...
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How “good” can the synthetic route be? SMART-PMI: Predicting Process Mass Intensity from Molecular Structure
In the industrial production of pharmaceuticals, there is a strong demand to realize synthetic routes that are economical to produce and consider their environmental impact. From the perspective of ...
Solvent Isotope Effect
solvent isotope effect An isotope effect that appears when a solvent labeled with an isotope (especially deuterium) is utilized. In chemical research, there are many opportunities to investigate the ...
IR Basics: Guide for Analysis and Interpretation
Overview Infrared absorption spectrometry (IR) is an analytical method that measures the absorption spectrum obtained by exposing a sample to infrared light. IR is especially useful for determining ...
Grignard Reaction
General Characteristics Grignard reagents are the most popular among organometallic reagents. Alkyl groups can be introduced into carbonyl compounds to give the corresponding alcohols. The ...
Wittig Reaction
General Characteristics Compounds in which the adjacent anion is stabilized by a heteroatom with a positive formal charge are generally called ylides. The synthesis of alkenes from carbonyl compounds ...
Chemoinformatically Guided Discovery of Chiral Catalysts
Prof. Scott E. Denmark et al. at the University of Illinois used three-dimensional molecular structures to enable machine learning to predict selectivity in asymmetric catalysis in 2019.[1] Later in ...
Louis E. Brus
Louis Eugene Brus (August 10, 1943 – Cleveland, Ohio) is an American chemist. He is a professor at Columbia University. He is a member of the National Academy of Sciences (photo: Columbia ...
Neutron time-of-flight scattering
Neutron time-of-flight scattering (meV ~eV) A rotating object called a chopper is used to determine the single neutron energy incident on the sample. The neutron energy after scattering is determined ...
EXSY (Exchange Spectroscopy, NMR)
What is EXSY? Abbreviation for EXchange SpectroscopY, a technique in NMR measurements. Another name for NOESY. The pulse sequences are identical to NOESY.[1,2] Since correlated signals also appear ...