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Inne
p-N,N'-tetraacetylodiaminodurene. The structure and vibrational spectra.
Autorzy
Rok wydania
2015
Czasopismo
Numer woluminu
459
Strony
148-154
DOI
10.1016/j.chemphys.2015.08.005
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
The crystal and molecular structure of p-N,N′-tetraacetylodiaminodurene (TADD) is reported based on the X-ray diffraction studies. The N-acetyl moieties are planar and all N-acetyl groups are perpendicular to the ring plane. Methyl groups both of acetyl moieties and of durene form a number of non-conventional hydrogen bonds with nitrogen and oxygen atoms. The vibrational spectra very well reflect the structure of molecules and their contacts. They are compared with calculated data by using various theoretical approaches. The neutron scattering spectra show two tunnel lines of low energy values (at ±0.9 and ±2.3 μeV at 4 K), which can be ascribed to methyl groups of N-acetyl moieties, which behave more freely than those attached to the phenyl ring.
Słowa kluczowe
Tetraacetylodiaminodurene, Inelastic neutron spectroscopy
Adres publiczny
http://dx.doi.org/10.1016/j.chemphys.2015.08.005
Strona internetowa wydawcy
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