Halogen and hydrogen bonding in cis-dichlorobis(propionitrile)platinum(II) chloroform monosolvate

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Halogen and hydrogen bonding in cis-dichlorobis(propionitrile)platinum(II) chloroform monosolvate. / Afanasenko, Anastasiia M.; Avdontceva, Margarita S.; Novikov, Alexander S.; Chulkova, Tatiana G.

In: Zeitschrift fur Kristallographie - Crystalline Materials, Vol. 231, No. 7, 2016.

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BibTeX

@article{6b2e97b4a27a41658e981bdaf93e73bc,

title = "Halogen and hydrogen bonding in cis-dichlorobis(propionitrile)platinum(II) chloroform monosolvate",

abstract = "The weak intermolecular noncovalent interactions in the solvate cis-[PtCl2(C2H5CN)(2)]center dot CHCl3 were studied by XRD and DFT methods. Special attention was paid to a chloroform molecule as a potential donor of both hydrogen and halogen bonds. On the one hand, the H atom of chloroform links two Cl atoms of cis-[PtCl2(C2H5CN)(2)] (H-chloroform -Cl-complex (2.660 angstrom, 2.811 angstrom)), and on the other side, the weak Cl-chloroform -Cl-complex (3.247 and 3.497 angstrom) interactions were found. According to DFT calculation, only the H-chloroform -Cl-complex (2.660 and 2.811 angstrom) and Cl-chloroform -Cl-complex (3.247 angstrom) interactions can be classified as weak noncovalent bonds, whereas the contacts Cl-chloroform -C-nitrile (3.391 angstrom) and -Cl-chloroform -Cl-complex (3.497 angstrom) are due to the crystal packing effect.",

author = "Afanasenko, {Anastasiia M.} and Avdontceva, {Margarita S.} and Novikov, {Alexander S.} and Chulkova, {Tatiana G.}",

year = "2016",

doi = "10.1515/zkri-2016-1948",

language = "English",

volume = "231",

journal = "Zeitschrift fur Kristallographie - Crystalline Materials",

issn = "2194-4946",

publisher = "De Gruyter",

number = "7",

}

RIS

TY - JOUR

T1 - Halogen and hydrogen bonding in cis-dichlorobis(propionitrile)platinum(II) chloroform monosolvate

AU - Afanasenko, Anastasiia M.

AU - Avdontceva, Margarita S.

AU - Novikov, Alexander S.

AU - Chulkova, Tatiana G.

PY - 2016

Y1 - 2016

N2 - The weak intermolecular noncovalent interactions in the solvate cis-[PtCl2(C2H5CN)(2)]center dot CHCl3 were studied by XRD and DFT methods. Special attention was paid to a chloroform molecule as a potential donor of both hydrogen and halogen bonds. On the one hand, the H atom of chloroform links two Cl atoms of cis-[PtCl2(C2H5CN)(2)] (H-chloroform -Cl-complex (2.660 angstrom, 2.811 angstrom)), and on the other side, the weak Cl-chloroform -Cl-complex (3.247 and 3.497 angstrom) interactions were found. According to DFT calculation, only the H-chloroform -Cl-complex (2.660 and 2.811 angstrom) and Cl-chloroform -Cl-complex (3.247 angstrom) interactions can be classified as weak noncovalent bonds, whereas the contacts Cl-chloroform -C-nitrile (3.391 angstrom) and -Cl-chloroform -Cl-complex (3.497 angstrom) are due to the crystal packing effect.

AB - The weak intermolecular noncovalent interactions in the solvate cis-[PtCl2(C2H5CN)(2)]center dot CHCl3 were studied by XRD and DFT methods. Special attention was paid to a chloroform molecule as a potential donor of both hydrogen and halogen bonds. On the one hand, the H atom of chloroform links two Cl atoms of cis-[PtCl2(C2H5CN)(2)] (H-chloroform -Cl-complex (2.660 angstrom, 2.811 angstrom)), and on the other side, the weak Cl-chloroform -Cl-complex (3.247 and 3.497 angstrom) interactions were found. According to DFT calculation, only the H-chloroform -Cl-complex (2.660 and 2.811 angstrom) and Cl-chloroform -Cl-complex (3.247 angstrom) interactions can be classified as weak noncovalent bonds, whereas the contacts Cl-chloroform -C-nitrile (3.391 angstrom) and -Cl-chloroform -Cl-complex (3.497 angstrom) are due to the crystal packing effect.

U2 - 10.1515/zkri-2016-1948

DO - 10.1515/zkri-2016-1948

M3 - Article

VL - 231

JO - Zeitschrift fur Kristallographie - Crystalline Materials

JF - Zeitschrift fur Kristallographie - Crystalline Materials

SN - 2194-4946

IS - 7

ER -

ID: 7949910