Research output: Contribution to journal › Article › peer-review
Efficient π-stacking with benzene provides 2D assembly of trans-[PtCl2(p-CF3C6H4CN)2]. / Ivanov, D.M.; Kirina, Y.V.; Novikov, A.S.; Starova, G.L.; Kukushkin, V.Yu.
In: Journal of Molecular Structure, Vol. 1104, 2016, p. 19-23.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Efficient π-stacking with benzene provides 2D assembly of trans-[PtCl2(p-CF3C6H4CN)2]
AU - Ivanov, D.M.
AU - Kirina, Y.V.
AU - Novikov, A.S.
AU - Starova, G.L.
AU - Kukushkin, V.Yu.
N1 - cited By 11
PY - 2016
Y1 - 2016
N2 - © 2015 Elsevier B.V. All rights reserved. The new platinum(II) complex trans-[PtCl2(p-CF3C6H4CN)2], which was obtained upon treatment of [PtCl2(MeCN)2] with excess of p-CF3C6H4CN, co-crystallizes with benzene giving 2D layers formed by complex-benzene and complex-complex π-stacking interactions. These interactions were detected by X-ray crystallography and their nature was analyzed by DFT calculations (M06 functional), including AIM analysis, inspection of NBO atomic charges, and evaluation of the vertical total energies for dissociation in the model supramolecular cluster. The crystal packing insignificantly effect the structure of the supramolecular associates and π-stacking interactions are rather weak.
AB - © 2015 Elsevier B.V. All rights reserved. The new platinum(II) complex trans-[PtCl2(p-CF3C6H4CN)2], which was obtained upon treatment of [PtCl2(MeCN)2] with excess of p-CF3C6H4CN, co-crystallizes with benzene giving 2D layers formed by complex-benzene and complex-complex π-stacking interactions. These interactions were detected by X-ray crystallography and their nature was analyzed by DFT calculations (M06 functional), including AIM analysis, inspection of NBO atomic charges, and evaluation of the vertical total energies for dissociation in the model supramolecular cluster. The crystal packing insignificantly effect the structure of the supramolecular associates and π-stacking interactions are rather weak.
U2 - 10.1016/j.molstruc.2015.09.027
DO - 10.1016/j.molstruc.2015.09.027
M3 - Article
VL - 1104
SP - 19
EP - 23
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
SN - 0022-2860
ER -
ID: 5811313