Anionic Halide center dot center dot center dot Alcohol Clusters in the Solid State

作者：Gushehin Pavel V; Kuznetsov Maxim L; Haukka Matti; Kukushkin Vadim Yu^*

来源：Journal of Physical Chemistry A, 2014, 118(40): 9529-9539.

DOI：10.1021/jp506256a

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.

• 出版日期2014-10-9