Efficient π-stacking with benzene provides 2D assembly of trans-[PtCl2(p-CF3C6H4CN)2]

D.M. Ivanov, Y.V. Kirina, A.S. Novikov, G.L. Starova, V.Yu. Kukushkin

Research output

23 Citations (Scopus)

Abstract

© 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.
Original languageEnglish
Pages (from-to)19-23
Number of pages5
JournalJournal of Molecular Structure
Volume1104
DOIs
Publication statusPublished - 2016

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Benzene
X ray crystallography
Platinum
Discrete Fourier transforms
Inspection
Crystals

Cite this

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title = "Efficient π-stacking with benzene provides 2D assembly of trans-[PtCl2(p-CF3C6H4CN)2]",
abstract = "{\circledC} 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.",
author = "D.M. Ivanov and Y.V. Kirina and A.S. Novikov and G.L. Starova and V.Yu. Kukushkin",
note = "cited By 11",
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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 -