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Open-chain hemiketal is stabilized by coordination to a copper (II). / Melekhova, A.A.; Novikov, A.S.; Rostovskii, N.V.; Sakharov, P.A.; Panikorovskii, T.L.; Bokach, N.A.

In: Inorganic Chemistry Communications, Vol. 79, 2017, p. 82-85.

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

Harvard

Melekhova, AA, Novikov, AS, Rostovskii, NV, Sakharov, PA, Panikorovskii, TL & Bokach, NA 2017, 'Open-chain hemiketal is stabilized by coordination to a copper (II)', Inorganic Chemistry Communications, vol. 79, pp. 82-85. https://doi.org/10.1016/j.inoche.2017.03.024, https://doi.org/10.1016/j.inoche.2017.03.024

APA

Melekhova, A. A., Novikov, A. S., Rostovskii, N. V., Sakharov, P. A., Panikorovskii, T. L., & Bokach, N. A. (2017). Open-chain hemiketal is stabilized by coordination to a copper (II). Inorganic Chemistry Communications, 79, 82-85. https://doi.org/10.1016/j.inoche.2017.03.024, https://doi.org/10.1016/j.inoche.2017.03.024

Vancouver

Melekhova AA, Novikov AS, Rostovskii NV, Sakharov PA, Panikorovskii TL, Bokach NA. Open-chain hemiketal is stabilized by coordination to a copper (II). Inorganic Chemistry Communications. 2017;79:82-85. https://doi.org/10.1016/j.inoche.2017.03.024, https://doi.org/10.1016/j.inoche.2017.03.024

Author

Melekhova, A.A. ; Novikov, A.S. ; Rostovskii, N.V. ; Sakharov, P.A. ; Panikorovskii, T.L. ; Bokach, N.A. / Open-chain hemiketal is stabilized by coordination to a copper (II). In: Inorganic Chemistry Communications. 2017 ; Vol. 79. pp. 82-85.

BibTeX

@article{8df292b676fb4a9c9d02ab09fdffb51b,
title = "Open-chain hemiketal is stabilized by coordination to a copper (II)",
abstract = "{\textcopyright} 2017 Elsevier B.V.The hemiketal complex [Cu{NH2C(Me)2C(Ph)(OMe)O}2] (1) was generated by the reaction of [Cu(NCMe)4](BF4) and 4 equivs of 2,2-dimethyl-3-phenyl-2H-azirine in the presence of NCNMe2 in wet MeOH and isolated in 92% yield. In 1, the in situ formed hemiketal NH2C(Me)2C(Ph)(OMe)OH in its deprotonated form is stabilized due to chelation to copper(II). In the X-ray structure of 1[rad]4MeOH, the intermolecular hydrogen bonding was detected between O and N atoms of the organic ligand and the H–O group of solvated MeOH as well as between two molecules of the solvated MeOH. Three types of hydrogen bonds in the obtained structure were studied by the DFT calculations (M06/6-31 ++G** level of theory, MDF10 pseudopotentials on the Cu atoms) and topological analysis of the electron density distribution within the formalism of Bader's theory (QTAIM method). Estimated strength of these non-covalent interactions is 3–9 kcal/mol.",
author = "A.A. Melekhova and A.S. Novikov and N.V. Rostovskii and P.A. Sakharov and T.L. Panikorovskii and N.A. Bokach",
note = "cited By 1",
year = "2017",
doi = "10.1016/j.inoche.2017.03.024",
language = "English",
volume = "79",
pages = "82--85",
journal = "Inorganic Chemistry Communication",
issn = "1387-7003",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Open-chain hemiketal is stabilized by coordination to a copper (II)

AU - Melekhova, A.A.

AU - Novikov, A.S.

AU - Rostovskii, N.V.

AU - Sakharov, P.A.

AU - Panikorovskii, T.L.

AU - Bokach, N.A.

N1 - cited By 1

PY - 2017

Y1 - 2017

N2 - © 2017 Elsevier B.V.The hemiketal complex [Cu{NH2C(Me)2C(Ph)(OMe)O}2] (1) was generated by the reaction of [Cu(NCMe)4](BF4) and 4 equivs of 2,2-dimethyl-3-phenyl-2H-azirine in the presence of NCNMe2 in wet MeOH and isolated in 92% yield. In 1, the in situ formed hemiketal NH2C(Me)2C(Ph)(OMe)OH in its deprotonated form is stabilized due to chelation to copper(II). In the X-ray structure of 1[rad]4MeOH, the intermolecular hydrogen bonding was detected between O and N atoms of the organic ligand and the H–O group of solvated MeOH as well as between two molecules of the solvated MeOH. Three types of hydrogen bonds in the obtained structure were studied by the DFT calculations (M06/6-31 ++G** level of theory, MDF10 pseudopotentials on the Cu atoms) and topological analysis of the electron density distribution within the formalism of Bader's theory (QTAIM method). Estimated strength of these non-covalent interactions is 3–9 kcal/mol.

AB - © 2017 Elsevier B.V.The hemiketal complex [Cu{NH2C(Me)2C(Ph)(OMe)O}2] (1) was generated by the reaction of [Cu(NCMe)4](BF4) and 4 equivs of 2,2-dimethyl-3-phenyl-2H-azirine in the presence of NCNMe2 in wet MeOH and isolated in 92% yield. In 1, the in situ formed hemiketal NH2C(Me)2C(Ph)(OMe)OH in its deprotonated form is stabilized due to chelation to copper(II). In the X-ray structure of 1[rad]4MeOH, the intermolecular hydrogen bonding was detected between O and N atoms of the organic ligand and the H–O group of solvated MeOH as well as between two molecules of the solvated MeOH. Three types of hydrogen bonds in the obtained structure were studied by the DFT calculations (M06/6-31 ++G** level of theory, MDF10 pseudopotentials on the Cu atoms) and topological analysis of the electron density distribution within the formalism of Bader's theory (QTAIM method). Estimated strength of these non-covalent interactions is 3–9 kcal/mol.

U2 - 10.1016/j.inoche.2017.03.024

DO - 10.1016/j.inoche.2017.03.024

M3 - Article

VL - 79

SP - 82

EP - 85

JO - Inorganic Chemistry Communication

JF - Inorganic Chemistry Communication

SN - 1387-7003

ER -

ID: 7908227