Standard

Recognition of a Novel Type X=N-Hal center dot center dot center dot Hal (X = C, S, P; Hal = F, Cl, Br, I) Halogen Bonding. / Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu.

In: Journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, Vol. 117, No. 13, 2013, p. 2827-2834.

Research output: Contribution to journal › Article

Harvard

Gushchin, PV, Kuznetsov, ML, Haukka, M & Kukushkin, VY 2013, 'Recognition of a Novel Type X=N-Hal center dot center dot center dot Hal (X = C, S, P; Hal = F, Cl, Br, I) Halogen Bonding', Journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, vol. 117, no. 13, pp. 2827-2834. https://doi.org/10.1021/jp3112149

APA

Gushchin, P. V., Kuznetsov, M. L., Haukka, M., & Kukushkin, V. Y. (2013). Recognition of a Novel Type X=N-Hal center dot center dot center dot Hal (X = C, S, P; Hal = F, Cl, Br, I) Halogen Bonding. Journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 117(13), 2827-2834. https://doi.org/10.1021/jp3112149

Vancouver

Gushchin PV, Kuznetsov ML, Haukka M, Kukushkin VY. Recognition of a Novel Type X=N-Hal center dot center dot center dot Hal (X = C, S, P; Hal = F, Cl, Br, I) Halogen Bonding. Journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory. 2013;117(13):2827-2834. https://doi.org/10.1021/jp3112149

Author

Gushchin, Pavel V. ; Kuznetsov, Maxim L. ; Haukka, Matti ; Kukushkin, Vadim Yu. / Recognition of a Novel Type X=N-Hal center dot center dot center dot Hal (X = C, S, P; Hal = F, Cl, Br, I) Halogen Bonding. In: Journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory. 2013 ; Vol. 117, No. 13. pp. 2827-2834.

BibTeX

@article{ffcc259c3dcb4d36a8c1fe2fa9818a03,
title = "Recognition of a Novel Type X=N-Hal center dot center dot center dot Hal (X = C, S, P; Hal = F, Cl, Br, I) Halogen Bonding",
abstract = "The chlorination of the eight-membered platinum(H) chelates [PtCl2(NH=C(NR2)N(Ph)C(=NH)-N(Ph)C(NR2)=NH}] (R = Me (1); R2 = (CH2)5 (2)) with uncomplexed imino group with C12 gives complexes bearing the =N CI moiety [PtCl4(NH=C(NR2)N(Ph)C(-=-NCl)N-(Ph)C(NR2)=NH}] (R = Me (3); R-2 = (CH2)(5) (4)). X-ray study for 3 revealed a novel type intermolecular halogen bonding =N-Cl center dot center dot center dot Cl, formed between the Cl atom of the chlorinated imine and the chloride bound to the platinum(IV) center. The processing relevant structural data retrieved from the Cambridge Structural Database (CSDB) shows that this type of halogen bonding is realized in 18 more molecular species having X=N-Hal moieties (X = C, P, S, V, W; Hal = Cl, Br, I), but this weak =N Hal center dot center dot center dot Hal(-) bonding was totally neglected in the previous works. The presence of the halogen bonding in 3 was confirmed by theoretical calculations at the density functional theory (DFT, M06-2X) level, and its nature was an",
author = "Gushchin, {Pavel V.} and Kuznetsov, {Maxim L.} and Matti Haukka and Kukushkin, {Vadim Yu}",
year = "2013",
doi = "10.1021/jp3112149",
language = "English",
volume = "117",
pages = "2827--2834",
journal = "Journal of Physical Chemistry B",
issn = "1520-6106",
publisher = "American Chemical Society",
number = "13",

}

RIS

TY - JOUR

T1 - Recognition of a Novel Type X=N-Hal center dot center dot center dot Hal (X = C, S, P; Hal = F, Cl, Br, I) Halogen Bonding

AU - Gushchin, Pavel V.

AU - Kuznetsov, Maxim L.

AU - Haukka, Matti

AU - Kukushkin, Vadim Yu

PY - 2013

Y1 - 2013

N2 - The chlorination of the eight-membered platinum(H) chelates [PtCl2(NH=C(NR2)N(Ph)C(=NH)-N(Ph)C(NR2)=NH}] (R = Me (1); R2 = (CH2)5 (2)) with uncomplexed imino group with C12 gives complexes bearing the =N CI moiety [PtCl4(NH=C(NR2)N(Ph)C(-=-NCl)N-(Ph)C(NR2)=NH}] (R = Me (3); R-2 = (CH2)(5) (4)). X-ray study for 3 revealed a novel type intermolecular halogen bonding =N-Cl center dot center dot center dot Cl, formed between the Cl atom of the chlorinated imine and the chloride bound to the platinum(IV) center. The processing relevant structural data retrieved from the Cambridge Structural Database (CSDB) shows that this type of halogen bonding is realized in 18 more molecular species having X=N-Hal moieties (X = C, P, S, V, W; Hal = Cl, Br, I), but this weak =N Hal center dot center dot center dot Hal(-) bonding was totally neglected in the previous works. The presence of the halogen bonding in 3 was confirmed by theoretical calculations at the density functional theory (DFT, M06-2X) level, and its nature was an

AB - The chlorination of the eight-membered platinum(H) chelates [PtCl2(NH=C(NR2)N(Ph)C(=NH)-N(Ph)C(NR2)=NH}] (R = Me (1); R2 = (CH2)5 (2)) with uncomplexed imino group with C12 gives complexes bearing the =N CI moiety [PtCl4(NH=C(NR2)N(Ph)C(-=-NCl)N-(Ph)C(NR2)=NH}] (R = Me (3); R-2 = (CH2)(5) (4)). X-ray study for 3 revealed a novel type intermolecular halogen bonding =N-Cl center dot center dot center dot Cl, formed between the Cl atom of the chlorinated imine and the chloride bound to the platinum(IV) center. The processing relevant structural data retrieved from the Cambridge Structural Database (CSDB) shows that this type of halogen bonding is realized in 18 more molecular species having X=N-Hal moieties (X = C, P, S, V, W; Hal = Cl, Br, I), but this weak =N Hal center dot center dot center dot Hal(-) bonding was totally neglected in the previous works. The presence of the halogen bonding in 3 was confirmed by theoretical calculations at the density functional theory (DFT, M06-2X) level, and its nature was an

U2 - 10.1021/jp3112149

DO - 10.1021/jp3112149

M3 - Article

VL - 117

SP - 2827

EP - 2834

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

SN - 1520-6106

IS - 13

ER -

ID: 5701538