2011
DOI: 10.3788/cjl201138.0215001
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Raman Spectra of Liquid β-Phenylethylamine and Density Functional Theory Calculations

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“…Through DFT calculations and Raman spectroscopy, Gu's group indicates that all six conformers of liquid 𝛽phenylethylamine could coexist at room temperature, among which A1 and A2 are mirror conformations. [37] The S/R-MPEA we used are two different chiral configurations of 𝛽-phenethylamine. Therefore, we believe that due to the simultaneous existence of achiral ligand OAm and chiral ligand S/R-MPEABr in our system, OAm will form a certain steric hindrance, affecting the conformation of S/R-MPEABr ligand, which may ultimately result in the CD polarity changes of assembly.…”
Section: Chiroptical Propertiesmentioning
confidence: 99%
“…Through DFT calculations and Raman spectroscopy, Gu's group indicates that all six conformers of liquid 𝛽phenylethylamine could coexist at room temperature, among which A1 and A2 are mirror conformations. [37] The S/R-MPEA we used are two different chiral configurations of 𝛽-phenethylamine. Therefore, we believe that due to the simultaneous existence of achiral ligand OAm and chiral ligand S/R-MPEABr in our system, OAm will form a certain steric hindrance, affecting the conformation of S/R-MPEABr ligand, which may ultimately result in the CD polarity changes of assembly.…”
Section: Chiroptical Propertiesmentioning
confidence: 99%