Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Halobismuthates with halopyridinium cations : Appearance or non-appearance of unusual colouring. / Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S. и др.
в: CrystEngComm, Том 20, № 48, 28.12.2018, стр. 7766-7772.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Halobismuthates with halopyridinium cations
T2 - Appearance or non-appearance of unusual colouring
AU - Adonin, Sergey A.
AU - Gorokh, Igor D.
AU - Novikov, Alexander S.
AU - Samsonenko, Denis G.
AU - Yushina, Irina V.
AU - Sokolov, Maxim N.
AU - Fedin, Vladimir P.
PY - 2018/12/28
Y1 - 2018/12/28
N2 - A series of chloro- and bromobismuthate complexes with bromopyridinium cations was prepared and characterized by XRD analysis and diffuse reflectance spectroscopy. In one case, short Cl⋯Br contacts between 2-BrPyH+ and chlorobismuthate units in the solid state result in notable charge transfer and the appearance of unusual coloring. The nature of halogen⋯halogen interactions, which can be regarded as halogen bonding, in the obtained complexes was studied by QTAIM analysis, and their energies were estimated (1.3-3.6 kcal mol-1) and compared with those in related bromo- and iodoplumbates(ii). It is concluded that the presence of halogen bonding is not the single factor affecting the optical properties.
AB - A series of chloro- and bromobismuthate complexes with bromopyridinium cations was prepared and characterized by XRD analysis and diffuse reflectance spectroscopy. In one case, short Cl⋯Br contacts between 2-BrPyH+ and chlorobismuthate units in the solid state result in notable charge transfer and the appearance of unusual coloring. The nature of halogen⋯halogen interactions, which can be regarded as halogen bonding, in the obtained complexes was studied by QTAIM analysis, and their energies were estimated (1.3-3.6 kcal mol-1) and compared with those in related bromo- and iodoplumbates(ii). It is concluded that the presence of halogen bonding is not the single factor affecting the optical properties.
KW - PEROVSKITE SOLAR-CELLS
KW - STRUCTURAL-CHARACTERIZATION
KW - VIBRATIONAL-SPECTRA
KW - HALOGEN
KW - HYDROGEN
KW - COMPLEXES
KW - HYBRID
KW - BROMIDE
KW - CRYSTALS
KW - CONTACTS
UR - http://www.scopus.com/inward/record.url?scp=85058269176&partnerID=8YFLogxK
U2 - 10.1039/c8ce01749b
DO - 10.1039/c8ce01749b
M3 - Article
AN - SCOPUS:85058269176
VL - 20
SP - 7766
EP - 7772
JO - CrystEngComm
JF - CrystEngComm
SN - 1466-8033
IS - 48
ER -
ID: 17878270