Molecular motions contributions to optical nonlinearity of N-benzyl-2-methyl-4-nitroaniline studied by temperature-dependent FT-IR, 1H NMR spectroscopy and DFT calculations

2013 ◽  
Vol 1033 ◽  
pp. 91-97 ◽  
Author(s):  
Katarzyna Piela ◽  
Krystyna Hołderna-Natkaniec ◽  
Mikołaj Baranowski ◽  
Tomasz Misiaszek ◽  
Jan Baran ◽  
...  
2012 ◽  
Vol 50 (2) ◽  
pp. 148-158 ◽  
Author(s):  
A. Baglieri ◽  
M. Gennari ◽  
A. Ioppolo ◽  
P. Leinweber ◽  
M. Nègre

2002 ◽  
Vol 78 (4) ◽  
pp. 205-215 ◽  
Author(s):  
N Kovac ◽  
O Bajt ◽  
J Faganeli ◽  
B Sket ◽  
B Orel

2010 ◽  
Vol 2010 (19) ◽  
pp. 2903-2906 ◽  
Author(s):  
Rolf W. Saalfrank ◽  
Harald Maid ◽  
Andreas Scheurer ◽  
Ralph Puchta ◽  
Walter Bauer

Molbank ◽  
10.3390/m1261 ◽  
2021 ◽  
Vol 2021 (3) ◽  
pp. M1261
Author(s):  
Shintaro Kodama ◽  
Kazuki Bunno ◽  
Akihiro Nomoto ◽  
Akiya Ogawa

4,4′-di-tert-butyl-2,2′-bipyridinium trifluoromethanesulfonate was synthesized by stirring 4,4′-di-tert-butyl-2,2′-bipyridine with scandium(III) trifluoromethanesulfonate in acetonitrile, followed by precipitation with diethyl ether. The structure of the new compound was characterized by FT-IR, 1H, 13C{1H} and 19F{1H} NMR spectroscopy and CHN elemental analysis. This is a safe and simple method to obtain mono-protonated bipyridinium trifluoromethanesulfonate without the direct use of trifluoromethanesulfonic acid.


2008 ◽  
Vol 19 (8) ◽  
pp. 989-997 ◽  
Author(s):  
Alessandra Ammazzalorso ◽  
Giancarlo Bettoni ◽  
Barbara De Filippis ◽  
Marialuigia Fantacuzzi ◽  
Letizia Giampietro ◽  
...  

2020 ◽  
Vol 17 (34) ◽  
pp. 756-768
Author(s):  
Jassim Abas AL-HILFI ◽  
Zaidoon Jawad KAHDIM ◽  
Tahseen Saddam FANDI ◽  
Luma M AHMED

The series complex formation nickel(II) or cobalt(III) with hexafluoroacetylacetone, pyrazole, 3,5-dimethylpyrazole, and 3,5-bis(trifluoromethyl)-1H-pyrazole were prepared. The first reaction step included the synthesis of the complex using hexafluoroacetylacetone as a ligand with Co(III) or Ni(II), metals with high spin with π donate and enol-form of the ligand. This formed complex was identified by FT-IR, 1H-NMR spectroscopy, and magnetic susceptibility calculation. Whereas, the second reaction step to produce the complex depended upon mixing water and pyrazole and using it as ligands with Co(III) or Ni(II) a metal, which is a high spin with one donate and the another is aromatic nitrogen atom in a ligand. In the third reaction step, the complexes were produced by mixing water with 3,5-bis(trifluoromethyl)-1H-pyrazole as a ligand with Co(III) or Ni(II) as low spin metal. The analysis of these prepared complexes and their used ligands were done by comparing the results using 1H-NMR and FT-IR spectroscopies. Besides, the magnetic susceptibility calculation was also employed. The results of 1H-NMR spectroscopy and magnetic susceptibility proved that the produced complexes are diamagnetic when the ligand includes the CF3 group. At the same time, the produced complexes are paramagnetic, when the ligand without the CF3 group, which is formed the mixture of water and 3,5-dimethylpyrazole as ligand or water and pyrazole as a ligand with Co(III) or Ni(II) as metal. All the ligands in the paramagnetic complexes were one donate, and another the donated atom in pyrazol is an aromatic nitrogen atom. Therefore all prepared high spin complexes were not evident in the 1H-NMR spectrum because the peaks appear brood that due to high T1 relaxation 1H-NMR time, and the investigation turned out two assignment peaks. This behavior is an attitude to happen the ketone form and enol form phenomenon by using 1H-NMR spectra, and its an evident assignment coupling between hydrogen or carbon atom with a fluorine atom.


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