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Three-dimensional hydrogen bonding network in the structures of (dimethylcyanamide)cobalt(II) complexes. / Andrusenko, E.V.; Novikov, A.S.; Starova, G.L.; Bokach, N.A.

In: Inorganica Chimica Acta, Vol. 447, No. 447, 2016, p. 142-149.

Research output: Contribution to journal › Article › peer-review

Harvard

Andrusenko, EV, Novikov, AS, Starova, GL & Bokach, NA 2016, 'Three-dimensional hydrogen bonding network in the structures of (dimethylcyanamide)cobalt(II) complexes', Inorganica Chimica Acta, vol. 447, no. 447, pp. 142-149. https://doi.org/10.1016/j.ica.2016.03.046, https://doi.org/10.1016/j.ica.2016.03.046

APA

Andrusenko, E. V., Novikov, A. S., Starova, G. L., & Bokach, N. A. (2016). Three-dimensional hydrogen bonding network in the structures of (dimethylcyanamide)cobalt(II) complexes. Inorganica Chimica Acta, 447(447), 142-149. https://doi.org/10.1016/j.ica.2016.03.046, https://doi.org/10.1016/j.ica.2016.03.046

Vancouver

Andrusenko EV, Novikov AS, Starova GL, Bokach NA. Three-dimensional hydrogen bonding network in the structures of (dimethylcyanamide)cobalt(II) complexes. Inorganica Chimica Acta. 2016;447(447):142-149. https://doi.org/10.1016/j.ica.2016.03.046, https://doi.org/10.1016/j.ica.2016.03.046

Author

Andrusenko, E.V. ; Novikov, A.S. ; Starova, G.L. ; Bokach, N.A. / Three-dimensional hydrogen bonding network in the structures of (dimethylcyanamide)cobalt(II) complexes. In: Inorganica Chimica Acta. 2016 ; Vol. 447, No. 447. pp. 142-149.

BibTeX

@article{e773a349f0aa4bb1a8da56e2a3f1addf,
title = "Three-dimensional hydrogen bonding network in the structures of (dimethylcyanamide)cobalt(II) complexes",
abstract = "{\textcopyright} 2016 Elsevier B.V. All rights reserved. Two complexes trans-[Co(NCNMe2)2(H2O)4]X2·2H2O ([1]X2·2H2O; X = Cl, Br) were prepared by the reaction of CoX2·6H2O with 2 equiv of NCNMe2 in methanol and isolated in excellent (98%) yields. The complexes were characterized by elemental analyses (C, H, N), high resolution ESI, IR spectroscopies, and their molecular structures were determined by a single-crystal X-ray diffraction. In [1]X2·2H2O, the hydrogen bonding between the counterions X- and both ligated and crystallization water molecules responsible for the formation of a 3D-network. Based on quantum chemical DFT calculations and topological analysis of the electron density distribution within the formalism of Bader's theory (AIM method) these interactions can be classified as weak (HO-H···X-, X-···H-OH, and HO-H···X- contacts, 2.5-3.5 kcal/mol) and moderate (HO-H···OH2 contacts, 5.7-6.3 kcal/mol) strength hydrogen bonds mainly due to electrostatics.",
author = "E.V. Andrusenko and A.S. Novikov and G.L. Starova and N.A. Bokach",
note = "cited By 3",
year = "2016",
doi = "10.1016/j.ica.2016.03.046",
language = "English",
volume = "447",
pages = "142--149",
journal = "Inorganica Chimica Acta",
issn = "0020-1693",
publisher = "Elsevier",
number = "447",

}

RIS

TY - JOUR

T1 - Three-dimensional hydrogen bonding network in the structures of (dimethylcyanamide)cobalt(II) complexes

AU - Andrusenko, E.V.

AU - Novikov, A.S.

AU - Starova, G.L.

AU - Bokach, N.A.

N1 - cited By 3

PY - 2016

Y1 - 2016

N2 - © 2016 Elsevier B.V. All rights reserved. Two complexes trans-[Co(NCNMe2)2(H2O)4]X2·2H2O ([1]X2·2H2O; X = Cl, Br) were prepared by the reaction of CoX2·6H2O with 2 equiv of NCNMe2 in methanol and isolated in excellent (98%) yields. The complexes were characterized by elemental analyses (C, H, N), high resolution ESI, IR spectroscopies, and their molecular structures were determined by a single-crystal X-ray diffraction. In [1]X2·2H2O, the hydrogen bonding between the counterions X- and both ligated and crystallization water molecules responsible for the formation of a 3D-network. Based on quantum chemical DFT calculations and topological analysis of the electron density distribution within the formalism of Bader's theory (AIM method) these interactions can be classified as weak (HO-H···X-, X-···H-OH, and HO-H···X- contacts, 2.5-3.5 kcal/mol) and moderate (HO-H···OH2 contacts, 5.7-6.3 kcal/mol) strength hydrogen bonds mainly due to electrostatics.

AB - © 2016 Elsevier B.V. All rights reserved. Two complexes trans-[Co(NCNMe2)2(H2O)4]X2·2H2O ([1]X2·2H2O; X = Cl, Br) were prepared by the reaction of CoX2·6H2O with 2 equiv of NCNMe2 in methanol and isolated in excellent (98%) yields. The complexes were characterized by elemental analyses (C, H, N), high resolution ESI, IR spectroscopies, and their molecular structures were determined by a single-crystal X-ray diffraction. In [1]X2·2H2O, the hydrogen bonding between the counterions X- and both ligated and crystallization water molecules responsible for the formation of a 3D-network. Based on quantum chemical DFT calculations and topological analysis of the electron density distribution within the formalism of Bader's theory (AIM method) these interactions can be classified as weak (HO-H···X-, X-···H-OH, and HO-H···X- contacts, 2.5-3.5 kcal/mol) and moderate (HO-H···OH2 contacts, 5.7-6.3 kcal/mol) strength hydrogen bonds mainly due to electrostatics.

U2 - 10.1016/j.ica.2016.03.046

DO - 10.1016/j.ica.2016.03.046

M3 - Article

VL - 447

SP - 142

EP - 149

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

SN - 0020-1693

IS - 447

ER -

ID: 7595659