Halogen bonding in crystals of free 1,2-diiodo-ethene (C2H2I2) and its π-complex [CpMn(CO)2](π-C2H2I2)

Yury V. Torubaev; Ivan V. Skabitsky

doi:10.1515/zkri-2020-0064

Halogen bonding in crystals of free 1,2-diiodo-ethene (C₂H₂I₂) and its π-complex [CpMn(CO)₂](π-C₂H₂I₂)

Yury V. Torubaev, Ivan V. Skabitsky

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

12 Scopus citations

Abstract

1,2-trans-diiodo-ethene (C₂H₂I₂) – is an overlooked halogen bond donor, which demonstrate the distinct similarity of the geometry and directionality of I···I halogen bonds around the iodine atoms in its native and CpMn(CO)₂(C₂H₂I₂) π-complex crystals. Distortion of the planar geometry of C₂H₂I₂ upon the π-coordination result the distortion of the native planar layered geometry of C₂H₂I₂, so that [CpMn(CO)₂](π-C₂H₂I₂) features more complex I···I XB assisted 3D network. Unusual structural parallels between the native C₂H₂I₂ crystals and solid iodine are discussed.

Original language	English
Pages (from-to)	599-607
Number of pages	9
Journal	Zeitschrift fur Kristallographie - Crystalline Materials
Volume	235
Issue number	12
DOIs	https://doi.org/10.1515/zkri-2020-0064
State	Published - 1 Dec 2020
Externally published	Yes

Keywords

Halogen bond
Intermolecular interactions
Metal-olefin
Non-covalent interactions
Solid iodine
π-complex

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics
Inorganic Chemistry

Access to Document

10.1515/zkri-2020-0064

Cite this

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abstract = "1,2-trans-diiodo-ethene (C2H2I2) – is an overlooked halogen bond donor, which demonstrate the distinct similarity of the geometry and directionality of I···I halogen bonds around the iodine atoms in its native and CpMn(CO)2(C2H2I2) π-complex crystals. Distortion of the planar geometry of C2H2I2 upon the π-coordination result the distortion of the native planar layered geometry of C2H2I2, so that [CpMn(CO)2](π-C2H2I2) features more complex I···I XB assisted 3D network. Unusual structural parallels between the native C2H2I2 crystals and solid iodine are discussed.",

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AU - Skabitsky, Ivan V.

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AB - 1,2-trans-diiodo-ethene (C2H2I2) – is an overlooked halogen bond donor, which demonstrate the distinct similarity of the geometry and directionality of I···I halogen bonds around the iodine atoms in its native and CpMn(CO)2(C2H2I2) π-complex crystals. Distortion of the planar geometry of C2H2I2 upon the π-coordination result the distortion of the native planar layered geometry of C2H2I2, so that [CpMn(CO)2](π-C2H2I2) features more complex I···I XB assisted 3D network. Unusual structural parallels between the native C2H2I2 crystals and solid iodine are discussed.

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