Synthesis, conductivity, and vibrational spectroscopy of tetraphenylphosphonium bis(trifluoromethanesulfonyl)imide

Synthesis, NMR, Raman, thermal and nonlinear optical properties of dicationic ionic liquids from experimental and theoretical studies

“…anion acts as one of the least basic anions, larger and weaker coordinating anion, supported by previous work [48,49]. Table 2 are summarized observed and calculated wavenumbers (cm -1 ) and assignments for cation and ionic liquids bisImCl and bisImPF 6 in gas phase by using B3LYP/6-311++G** calculations.…”

Synthesis, conformational studies, vibrational spectra and thermal properties, of new 1,4-(phenylenebis(methylene) bis(methyl-imidazolium) ionic liquids

“…These bands correspond to the O=S=O and C-F stretching modes. For [PF 6 ] -, the anionic vibrations as weak bands at 856, 570 and 470 cm -1 , two medium intensity band around 826 and 740 cm -1 and a strong band at 751 cm -1 [16,20,36].…”

Experimental and DFT studies on structure, spectroscopic and thermal properties of N-Methyl-N,N,N-trioctylammonium chloride ionic liquid

“…Currently, the elucidations of all types of interactions in ILs are carried out combining theoretical calculations with different spectroscopic techniques [9,12,14,15]. So far, various quaternary ammoniums ILs with different cations and anions have been reported for Aliquat 336, including a recent study on the synthesis and structural and thermal properties of [Aliquat + ][NTF 2 -] IL [15][16][17][18][19][20][21][22][23][24][25][26][27][28][29][30][31] but the structural, electronic, vibrational and topological properties of [Aliquat + ][Cl -] IL was no reported yet. Hence, the aims of this work are: (i) to optimize the structure of [Aliquat + ][Cl -] IL in order to predict structural, electronic, topological and vibrational properties, (ii) to find the coordination mode between cation and anion by using natural bond orbital (NBO) and atoms in molecules (AIM) calculations, (iii) to characterize experimentally [Aliquat + ][Cl -] IL by using the infrared, Raman, 1 H-and 13 C-NMR spectra and, (vi) to perform comparisons of this IL with the reported for [Aliquat + ][NTF 2 -] IL [15].…”