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Anionic halide•••alcohol clusters in the solid state. / Gushehin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu.

In: Journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, Vol. 118, No. 40, 2014, p. 9529-9539.

Research output: Contribution to journal › Article

Harvard

Gushehin, PV, Kuznetsov, ML, Haukka, M & Kukushkin, VY 2014, 'Anionic halide•••alcohol clusters in the solid state', Journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, vol. 118, no. 40, pp. 9529-9539. https://doi.org/10.1021/jp506256a

APA

Gushehin, P. V., Kuznetsov, M. L., Haukka, M., & Kukushkin, V. Y. (2014). Anionic halide•••alcohol clusters in the solid state. Journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 118(40), 9529-9539. https://doi.org/10.1021/jp506256a

Vancouver

Gushehin PV, Kuznetsov ML, Haukka M, Kukushkin VY. Anionic halide•••alcohol clusters in the solid state. Journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory. 2014;118(40):9529-9539. https://doi.org/10.1021/jp506256a

Author

Gushehin, Pavel V. ; Kuznetsov, Maxim L. ; Haukka, Matti ; Kukushkin, Vadim Yu. / Anionic halide•••alcohol clusters in the solid state. In: Journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory. 2014 ; Vol. 118, No. 40. pp. 9529-9539.

BibTeX

@article{434f33b5a31d4e4e8a4a3a504ef55b56,
title = "Anionic halide•••alcohol clusters in the solid state",
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.",
author = "Gushehin, {Pavel V.} and Kuznetsov, {Maxim L.} and Matti Haukka and Kukushkin, {Vadim Yu}",
year = "2014",
doi = "10.1021/jp506256a",
language = "English",
volume = "118",
pages = "9529--9539",
journal = "Journal of Physical Chemistry B",
issn = "1520-6106",
publisher = "American Chemical Society",
number = "40",

}

RIS

TY - JOUR

T1 - Anionic halide•••alcohol clusters in the solid state

AU - Gushehin, Pavel V.

AU - Kuznetsov, Maxim L.

AU - Haukka, Matti

AU - Kukushkin, Vadim Yu

PY - 2014

Y1 - 2014

N2 - 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.

AB - 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.

U2 - 10.1021/jp506256a

DO - 10.1021/jp506256a

M3 - Article

VL - 118

SP - 9529

EP - 9539

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

SN - 1520-6106

IS - 40

ER -

ID: 5732771