FT-IR, FT-Raman, ab initio and DFT structural, vibrational frequency and HOMO–LUMO analysis of 1-naphthaleneacetic acid methyl ester

2011 ◽  
Vol 82 (1) ◽  
pp. 169-180 ◽  
Author(s):  
P.B. Nagabalasubramanian ◽  
Mehmet Karabacak ◽  
S. Periandy
Keyword(s):  
Methyl Ester ◽  
Ab Initio ◽  
Vibrational Frequency ◽  
Acid Methyl Ester ◽  
Naphthaleneacetic Acid ◽  
Acid Methyl ◽  
Ft Ir ◽  
Homo Lumo ◽  
Ab Initio And Dft ◽  
Ft Raman

FT-IR, FT-Raman, ab initio and DFT structural and vibrational frequency analysis of 6-aminopenicillanic acid

2010 ◽  
Vol 75 (1) ◽  
pp. 183-190 ◽  
Author(s):  
J. Swaminathan ◽  
M. Ramalingam ◽  
V. Sethuraman ◽  
N. Sundaraganesan ◽  
S. Sebastian ◽  
...  
Keyword(s):  
Ab Initio ◽  
Frequency Analysis ◽  
Vibrational Frequency ◽  
Ft Ir ◽  
Ab Initio And Dft ◽  
Ft Raman

FT-IR, FT-Raman, NMR spectral analysis and theoretical NBO, HOMO–LUMO analysis of bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)ethane by ab initio HF and DFT methods

2010 ◽  
Vol 981 (1-3) ◽  
pp. 59-70 ◽  
Author(s):  
S. Subashchandrabose ◽  
Akhil R. Krishnan ◽  
H. Saleem ◽  
V. Thanikachalam ◽  
G. Manikandan ◽  
...  
Keyword(s):  
Spectral Analysis ◽  
Ab Initio ◽  
Dft Methods ◽  
Ft Ir ◽  
Ab Initio Hf ◽  
Homo Lumo ◽  
Ft Raman

scholarly journals SYNTHESIS ALKANOLAMIDE TETRAHIDROXY OCTADECANOATE COMPOUND FROM CANDLE NUT OIL

2010 ◽  
Vol 9 (2) ◽  
pp. 271-277 ◽  
Author(s):  
Daniel Daniel
Keyword(s):  
Gas Chromatography ◽  
Fatty Acid ◽  
Methyl Ester ◽  
Column Chromatography ◽  
Acid Methyl Ester ◽  
Sodium Methylate ◽  
Nitrogen Gas ◽  
Acid Methyl ◽  
Ft Ir

Candle nut oil could be transesterificated by methanol with concentrated H2SO4 as a catalyst to form fatty acid methyl esther. Methyl linoleate could be separated by Column Chromatography mechanism technic partition from fatty acid methyl ester (FAME) mixture, then it was treated by ethanolamine at base condition in benzene as solvent and sodium methylate as a catalyst at reflux condition for 6 hours to form an alkanolamide. Alkanolamide could be epoxydized by tert-buthyl hydroperoxyde and peroxygenase as a catalyst and it was refluxed for 6 hours at 40 °C and nitrogen gas condition to form the epoxy alkanolamide octadecanoate, and then it was hydrolyzed by HCl 0.1 M to form alkanolamide tetrahidroxy octadecanoate (Polyol). Alkanolamide tetrahidroxy octadecanoate could be separated by Column Chromatography using silica gel H 40 and the eluent was the mixture of chloroform, ethyl acetate, formic acid in a ratio 90:10:1 (v/v/v/). Determination of HLB value from alknolamide tetrahydroxy octadecanoate is 13.096. Therefore, this compound was particularly suitable for application as an o/w emulsifiers. All af the reaction steps were confirmed by using FT-IR, 1H-NMR, GC-MS, Gas Chromatography and TLC.   Keywords: Esterification, Candle nut oil, Surfactant, Amidation, Polyol.

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