Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Fine-tuning halogen bonding properties of diiodine through halogen-halogen charge transfer-extended [Ru(2,2′-bipyridine)(CO)2X2]·I2 systems (X = Cl, Br, I). / Ding, X.; Tuikka, M.J.; Hirva, P.; Kukushkin, V.Y.; Novikov, A.S.; Haukka, M.
в: CrystEngComm, Том 18, № 11, 2016, стр. 1987-1995.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Fine-tuning halogen bonding properties of diiodine through halogen-halogen charge transfer-extended [Ru(2,2′-bipyridine)(CO)2X2]·I2 systems (X = Cl, Br, I)
AU - Ding, X.
AU - Tuikka, M.J.
AU - Hirva, P.
AU - Kukushkin, V.Y.
AU - Novikov, A.S.
AU - Haukka, M.
N1 - cited By 14
PY - 2016
Y1 - 2016
N2 - © 2016 The Royal Society of Chemistry. The current paper introduces the use of carbonyl containing ruthenium complexes, [Ru(bpy)(CO)2X2] (X = Cl, Br, I), as halogen bond acceptors for a I2 halogen bond donor. In all structures, the metal coordinated halogenido ligand acts as the actual halogen bond acceptor. Diiodine, I2, molecules are connected to the metal complexes through both ends of the molecule forming bridges between the complexes. Due to the charge transfer from Ru-X to I2, formation of the first Ru-X⋯I2 contact tends to generate a negative charge on I2 and redistribute the electron density anisotropically. If the initial Ru-X⋯IA-IB interaction causes a notable change in the electron density of I2, the increased negative charge accumulates on the second iodine, IB. The increased negative charge on IB reduces its ability to act as a halogen bond donor. With the [Ru(bpy)(CO)2Cl2] complex, the electron density of the I2 molecule remains isotropic and it acts as a symmetrical halogen bond donor for two m
AB - © 2016 The Royal Society of Chemistry. The current paper introduces the use of carbonyl containing ruthenium complexes, [Ru(bpy)(CO)2X2] (X = Cl, Br, I), as halogen bond acceptors for a I2 halogen bond donor. In all structures, the metal coordinated halogenido ligand acts as the actual halogen bond acceptor. Diiodine, I2, molecules are connected to the metal complexes through both ends of the molecule forming bridges between the complexes. Due to the charge transfer from Ru-X to I2, formation of the first Ru-X⋯I2 contact tends to generate a negative charge on I2 and redistribute the electron density anisotropically. If the initial Ru-X⋯IA-IB interaction causes a notable change in the electron density of I2, the increased negative charge accumulates on the second iodine, IB. The increased negative charge on IB reduces its ability to act as a halogen bond donor. With the [Ru(bpy)(CO)2Cl2] complex, the electron density of the I2 molecule remains isotropic and it acts as a symmetrical halogen bond donor for two m
U2 - 10.1039/c5ce02396c
DO - 10.1039/c5ce02396c
M3 - Article
VL - 18
SP - 1987
EP - 1995
JO - CrystEngComm
JF - CrystEngComm
SN - 1466-8033
IS - 11
ER -
ID: 7927567