Publication Type Journal Article
Title Efficient pi-stacking with benzene provides 2D assembly of trans-[PtCl2(p-CF3C6H4CN)(2)]
Authors Daniil M. Ivanov Yulia V. Kirina Alexander S. Novikov Galina L. Starova V. Yu. Kukushkin
Groups
Journal JOURNAL OF MOLECULAR STRUCTURE
Year 2016
Month January
Volume 1104
Number
Pages 19-23
Abstract 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 pi-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 pi-stacking interactions are rather weak. (C) 2015 Elsevier B.V. All rights reserved.
DOI http://dx.doi.org/10.1016/j.molstruc.2015.09.027
ISBN
Publisher
Book Title
ISSN 0022-2860
EISSN 1872-8014
Conference Name
Bibtex ID ISI:000365063700004
Observations
Back to Publications List