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Intermolecular hydrogen bonding H···Cl- in the solid palladium(II)-diaminocarbene complexes. / Kinzhalov, M.A.; Novikov, A.S.; Chernyshev, A.N.; Suslonov, V.V.

In: Zeitschrift fur Kristallographie - Crystalline Materials, Vol. 232, No. 4, 2017, p. 299-305.

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

Harvard

Kinzhalov, MA, Novikov, AS, Chernyshev, AN & Suslonov, VV 2017, 'Intermolecular hydrogen bonding H···Cl- in the solid palladium(II)-diaminocarbene complexes', Zeitschrift fur Kristallographie - Crystalline Materials, vol. 232, no. 4, pp. 299-305. https://doi.org/10.1515/zkri-2016-2018

APA

Kinzhalov, M. A., Novikov, A. S., Chernyshev, A. N., & Suslonov, V. V. (2017). Intermolecular hydrogen bonding H···Cl- in the solid palladium(II)-diaminocarbene complexes. Zeitschrift fur Kristallographie - Crystalline Materials, 232(4), 299-305. https://doi.org/10.1515/zkri-2016-2018

Vancouver

Kinzhalov MA, Novikov AS, Chernyshev AN, Suslonov VV. Intermolecular hydrogen bonding H···Cl- in the solid palladium(II)-diaminocarbene complexes. Zeitschrift fur Kristallographie - Crystalline Materials. 2017;232(4):299-305. https://doi.org/10.1515/zkri-2016-2018

Author

Kinzhalov, M.A. ; Novikov, A.S. ; Chernyshev, A.N. ; Suslonov, V.V. / Intermolecular hydrogen bonding H···Cl- in the solid palladium(II)-diaminocarbene complexes. In: Zeitschrift fur Kristallographie - Crystalline Materials. 2017 ; Vol. 232, No. 4. pp. 299-305.

BibTeX

@article{0d82ba7f2fce41e2804cec5c62b91aa4,
title = "Intermolecular hydrogen bonding H···Cl- in the solid palladium(II)-diaminocarbene complexes",
abstract = "Weak intermolecular non-covalent H···Cl- interactions in the solid chelated palladium(II)-diaminocarbene complex cis-[PdCl(CNXyl){C(NHXyl)=NHC6H2Me2NH2}]Cl (3; Xyl=2,6-Me2C6H3) were studied by XRD followed by appropriate DFT calculations. The N-H···Cl contacts for both NH groups in the carbene moiety are different (N1-H···Cl2 3.5258(19), N2-H···Cl2 3.0797(17) {\AA}). The DFT calculations and topological analysis of the electron density distribution within the formalism of Bader's theory (QTAIM method) were performed for a model cluster of the carbene complex 3. The theoretical data confirmed that the strength of intermolecular HB H···Cl- is different for two NH-protons of the carbene fragment. The influence of crystal packing effects on the formation of hydrogen bonds in the cluster of 3 is noticeable.",
author = "M.A. Kinzhalov and A.S. Novikov and A.N. Chernyshev and V.V. Suslonov",
note = "cited By 0",
year = "2017",
doi = "10.1515/zkri-2016-2018",
language = "English",
volume = "232",
pages = "299--305",
journal = "Zeitschrift fur Kristallographie - Crystalline Materials",
issn = "2194-4946",
publisher = "De Gruyter",
number = "4",

}

RIS

TY - JOUR

T1 - Intermolecular hydrogen bonding H···Cl- in the solid palladium(II)-diaminocarbene complexes

AU - Kinzhalov, M.A.

AU - Novikov, A.S.

AU - Chernyshev, A.N.

AU - Suslonov, V.V.

N1 - cited By 0

PY - 2017

Y1 - 2017

N2 - Weak intermolecular non-covalent H···Cl- interactions in the solid chelated palladium(II)-diaminocarbene complex cis-[PdCl(CNXyl){C(NHXyl)=NHC6H2Me2NH2}]Cl (3; Xyl=2,6-Me2C6H3) were studied by XRD followed by appropriate DFT calculations. The N-H···Cl contacts for both NH groups in the carbene moiety are different (N1-H···Cl2 3.5258(19), N2-H···Cl2 3.0797(17) Å). The DFT calculations and topological analysis of the electron density distribution within the formalism of Bader's theory (QTAIM method) were performed for a model cluster of the carbene complex 3. The theoretical data confirmed that the strength of intermolecular HB H···Cl- is different for two NH-protons of the carbene fragment. The influence of crystal packing effects on the formation of hydrogen bonds in the cluster of 3 is noticeable.

AB - Weak intermolecular non-covalent H···Cl- interactions in the solid chelated palladium(II)-diaminocarbene complex cis-[PdCl(CNXyl){C(NHXyl)=NHC6H2Me2NH2}]Cl (3; Xyl=2,6-Me2C6H3) were studied by XRD followed by appropriate DFT calculations. The N-H···Cl contacts for both NH groups in the carbene moiety are different (N1-H···Cl2 3.5258(19), N2-H···Cl2 3.0797(17) Å). The DFT calculations and topological analysis of the electron density distribution within the formalism of Bader's theory (QTAIM method) were performed for a model cluster of the carbene complex 3. The theoretical data confirmed that the strength of intermolecular HB H···Cl- is different for two NH-protons of the carbene fragment. The influence of crystal packing effects on the formation of hydrogen bonds in the cluster of 3 is noticeable.

U2 - 10.1515/zkri-2016-2018

DO - 10.1515/zkri-2016-2018

M3 - Article

VL - 232

SP - 299

EP - 305

JO - Zeitschrift fur Kristallographie - Crystalline Materials

JF - Zeitschrift fur Kristallographie - Crystalline Materials

SN - 2194-4946

IS - 4

ER -

ID: 7924558