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@ARTICLE{Szklarz:849749,
author = {Szklarz, P. and Jakubas, R. and Piecha-Bisiorek, A. and
Bator, G. and Chański, M. and Medycki, W. and Wuttke,
Joachim},
title = {{O}rganic-inorganic hybrid crystals, (2,4,6-{CH} 3 {P}y{H})
3 {S}b 2 {C}l 9 and (2,4,6-{CH} 3 {P}y{H}) 3 {B}i 2 {C}l 9 .
{C}rystal structure characterization and tunneling of {CH} 3
groups studied by 1 {H} {NMR} and neutron spectroscopy},
journal = {Polyhedron},
volume = {139},
issn = {0277-5387},
address = {Amsterdam [u.a.]},
publisher = {Elsevier Science},
reportid = {FZJ-2018-03872},
pages = {249 - 256},
year = {2018},
abstract = {The crystal structures of (2,4,6-CH3PyH)3Sb2Cl9 (TMPCA) and
(2,4,6-CH3PyH)3Bi2Cl9 (TMPCB) (Py – pyridine) have been
determined at 100 K by the single crystal X-ray
diffraction method. TMPCA and TMPCB crystallize in the
monoclinic C2/c and triclinic P1 polar space group,
respectively. In both cases the asymmetric part is comprised
of three nonequivalent 2,4,6-trimethylpyridinium cations and
a discrete M2Cl93− anion. The Bi2Cl93− moiety forms a
face-sharing bi-octahedron, whereas in a case of Sb2Cl93−
we deal with two pyramids connected by a corner. The
inelastic neutron scattering spectra (INS) were recorded for
TMPCA at low temperatures (4–50 K). Two peaks on each
side of the central elastic line have been observed at ca.
4.8 and 2.9 μeV, the high energy peak exhibits an
excitation energy value equal to ca. 6 meV. For TMPCA and
TMPCB the 1H NMR spin–lattice relaxation times, T1, have
been measured in the temperature region 15–410 K. The
flattening of the T1 (spin–lattice) vs. reciprocal
temperature, 1/T, dependence between 30 K and 15 K
indicates the incoherent tunneling effect of the methyl
group being treated as the quantum rotor. The conclusions
drawn from the 1H NMR results as regards to the tunneling of
the CH3 groups in the pyridinium cations are consistent with
the tunneling peaks observed in the INS spectra.},
cin = {JCNS (München) ; Jülich Centre for Neutron Science JCNS
(München) ; JCNS-FRM-II / Neutronenstreuung ; JCNS-1 /
JCNS-2},
ddc = {540},
cid = {I:(DE-Juel1)JCNS-FRM-II-20110218 /
I:(DE-Juel1)JCNS-1-20110106 / I:(DE-Juel1)JCNS-2-20110106},
pnm = {6G4 - Jülich Centre for Neutron Research (JCNS) (POF3-623)
/ 6G15 - FRM II / MLZ (POF3-6G15)},
pid = {G:(DE-HGF)POF3-6G4 / G:(DE-HGF)POF3-6G15},
experiment = {EXP:(DE-MLZ)SPHERES-20140101},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000419409900030},
doi = {10.1016/j.poly.2017.10.030},
url = {https://juser.fz-juelich.de/record/849749},
}