Publication Type Journal Article
Title Anionic Halide center dot center dot center dot Alcohol Clusters in the Solid State
Authors Pavel V. Gushehin Maxim L. Kuznetsov Matti Haukka V. Yu. Kukushkin
Groups CCC
Journal JOURNAL OF PHYSICAL CHEMISTRY A
Year 2014
Month October
Volume 118
Number 40
Pages 9529-9539
Abstract The cationic (1,3,5-triazapentadiene)Pt-II complexes [1](Cl)(2), [2](Cl)(2), [3](Br)(2), and [4](Cl)(2), were crystallized from ROH-containing systems (R = Me, Et) providing alcohol solvates studied by X-ray diffraction. In the crystal structures of [1-4][(Hal)(2)(ROH)(2)] (R = Me, Et), the Hal(-) ion interacts with two or three cations [1-4](2+) by means of two or three or four contacts thus uniting stacked arrays of complexes into the layers. The solvated MeOH or EtOH molecules occupy vacant space, giving contacts with [1-4](2+), and connects to the Hal(-) ion through a hydrogen bridge via the H(IO)O(IS) H atom forming, by means of the Hal(-)center dot center dot center dot HOR (Hal = Cl, Br) contact, the halide-alcohol cluster. Properties of the Cl-center dot center dot center dot HO(Me) H-bond in [1][(Cl)(2)(MeOH)(2)] were analyzed using theoretical DFT methods.
DOI http://dx.doi.org/10.1021/jp506256a
ISBN
Publisher AMER CHEMICAL SOC
Book Title
ISSN 1089-5639
EISSN
Conference Name
Bibtex ID ISI:000343016900026
Observations
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