Formation mechanism of acetaldehyde lithium enolate by reaction ofn-butyllithium with tetrahydrofuran: infrared and Raman spectroscopy and density functional theory calculations

2002 ◽  
Vol 33 (8) ◽  
pp. 652-668 ◽  
Author(s):  
Jacques Corset ◽  
Martine Castellà-Ventura ◽  
Françoise Froment ◽  
Tekla Strzalko ◽  
Lya Wartski
Keyword(s):  
Density Functional Theory ◽  
Raman Spectroscopy ◽  
Formation Mechanism ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Lithium Enolate ◽  
Infrared And Raman Spectroscopy

scholarly journals Investigation of the cis–trans structures and isomerization of oligoprolines by using Raman spectroscopy and density functional theory calculations: solute–solvent interactions and effects of terminal positively charged amino acid residues

RSC Advances ◽  
2020 ◽  
Vol 10 (57) ◽  
pp. 34493-34500
Author(s):  
Mei-Chun Huang ◽  
Wei-Hao Chen ◽  
Chen-Wei Huang ◽  
Kuei-Yen Huang ◽  
Jia-Cherng Horng ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Raman Spectroscopy ◽  
Density Functional ◽  
Theoretical Calculations ◽  
Density Functional Theory Calculations ◽  
State Density ◽  
Amino Acid Residues ◽  
Functional Theory ◽  
Solvent Interactions ◽  
Positively Charged

The low-wavenumber Raman spectra in combination with theoretical calculations via solid-state density functional theory (DFT)-D3 are displayed. The vibrational structures and interaction with solvent of poly-l-proline and the oligoproline P12 series are identified.

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