Repozytorium
Wyszukaj
Kolekcje
Inne
Study of packing of 4'-butyl-4-isothiocyanatotolane by X-ray diffraction and infrared spectra in polarized light.
Autorzy
Rok wydania
2012
Czasopismo
Numer woluminu
535
Strony
56-62
DOI
10.1016/j.cplett.2012.03.059
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
The packing properties of 4′-butylo-4-isothiocyanatotolane in the solid state and the liquid crystalline phases were studied by X-ray diffraction and infrared spectroscopy. The crystal structure comprises a herringbone-like packing with an efficient π–π overlap. The factors that shape the unusual broad νas(NCS) band are discussed. Selection of modes involved in the Fermi resonance interaction with the νas(NCS) vibration is supported by directions of their transition dipole moments obtained at the DFT calculations. A specific rearrangement in the herringbone packing, accompanying transition from the solid state to the isotropic phase was confirmed by the dichroic ratio values.
Adres publiczny
https://doi.org/10.1016/j.cplett.2012.03.059
Strona internetowa wydawcy
Podobne publikacje
X-ray diffraction, DFT theoretical, and IR polarized spectroscopic studies of the crystal-like E-mesophase of 4'-hexyloxy-isothiocyanatotolane (6OTOLT).
Majewska Paulina, Rospenk Maria, Czarnik-Matusewicz Bogusława, Kochel Andrzej, Sobczyk Lucjan, Dąbrowski R.
Low-temperature and high-pressure structural behaviour of NaBi(MoO4)2–an X-ray diffraction study.
Waśkowska A., Gerward L., Olsen J. S., Mączka Mirosław, Lis Tadeusz, Pietraszko Adam, Morgenroth W.
Crystal structure and phase transition of 4-aminopyridinium tetrachlorobismuthate(III), [4-NH2C5H4NH][BiCl4], as studied by x-ray diffraction, dielectric, proton NMR and infrared spectroscopy.
Kulicka Beata, Kinzhybalo Vasyl V., Jakubas Ryszard, Ciunik Zbigniew, Baran Jan, Medycki Wojciech
