Salts based on perchlorinated closo-dodecaborate anion: First 35Cl NQR studies and crystal structureстатья
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Дата последнего поиска статьи во внешних источниках: 11 мая 2022 г.
Аннотация:Three salts based on perchlorinated closo-dodecaborate anion, Cs2[B12Cl12]*2MeCN (1), K2[B12Cl12]*7MeCN (2),
and (Ph4P)2[B12Cl12] (3) were synthesized and characterized using 11В, 1Н, 13С NMR, X-ray diffraction and 35Cl
nuclear quadrupole resonsnce (NQR) spectroscopy. The latter was for the first time applied for identification of
noncovalent interactions Cl⋯X in closo-dodecaborate clusters. Subtle perturbations of the cluster electron density
caused by weak noncovalent Cl⋯X interactions were detected hence selecting from the whole totality of measured
interatomic « short » contacts those which really participated in noncovalent interactions. It has been shown that
X-ray structural information based on measuring the distances between atomic nuclei can be substantially supplemented
with the 35Cl NQR data on the features of the electronic distribution in these compounds. According to
the 35Cl NQR results, the alkali cations in 2*7MeCN, unlike in 1*2MeCN, do not participate in noncovalent interactions
with Cl atoms whereas the X-ray diffraction analysis found a number of K⋯Cl distances shorter than the
sum of vdW radii.