Supramolecular polymers derived from the Pt II and Pd II schiff base complexes via C(sp 2 )–H … Hal hydrogen bonding: Combined experimental and theoretical study

Alexander G. Tskhovrebov, Alexander S. Novikov, Olga V. Odintsova, Vladimir N. Mikhaylov, Viktor N. Sorokoumov, Tatiyana V. Serebryanskaya, Galina L. Starova

Research output

3 Citations (Scopus)

Abstract

A synthesis of the Pd II and Pt II N,N-diaryldiazabutadiene complexes and their self-assembly into infinite 1-dimensional chains in the solid state via rare C (sp 2 )–H … Hal hydrogen bonding is reported. All the new compounds were characterized using elemental analyses (C, H, N), ESI-MS, IR, 1 H and 13 C NMR techniques and X-ray diffraction analysis. The nature and energies of intermolecular non-covalent interactions, which are responsible for the supramolecular polymerization, were studied theoretically using DFT calculations and topological analysis of the electron density distribution within the formalism of Bader's theory (QTAIM method). While chloro-complexes, which feature a relatively stronger C (sp 2 )–H … Hal hydrogen bonding, form supramolecular polymers, the iodo-derivative does not self-assemble into 1-D chains due to the dominance of other crystal packing forces over the potential H⋯I contacts. Thus, the C (sp 2 )–H … Hal HB can dictate a packing preference in the solid state and serve as a useful tool for supramolecular engineers.

Original languageEnglish
Pages (from-to)71-75
Number of pages5
JournalJournal of Organometallic Chemistry
Volume886
DOIs
Publication statusPublished - 15 Apr 2019

Fingerprint

Schiff Bases
Hydrogen Bonding
imines
Hydrogen bonds
Polymers
Theoretical Models
solid state
contact potentials
Electronic density of states
polymers
hydrogen
Discrete Fourier transforms
X-Ray Diffraction
Polymerization
Self assembly
X ray diffraction analysis
engineers
density distribution
self assembly
polymerization

Scopus subject areas

  • Materials Chemistry
  • Biochemistry
  • Inorganic Chemistry
  • Physical and Theoretical Chemistry
  • Organic Chemistry

Cite this

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title = "Supramolecular polymers derived from the Pt II and Pd II schiff base complexes via C(sp 2 )–H … Hal hydrogen bonding: Combined experimental and theoretical study",
abstract = "A synthesis of the Pd II and Pt II N,N-diaryldiazabutadiene complexes and their self-assembly into infinite 1-dimensional chains in the solid state via rare C (sp 2 )–H … Hal hydrogen bonding is reported. All the new compounds were characterized using elemental analyses (C, H, N), ESI-MS, IR, 1 H and 13 C NMR techniques and X-ray diffraction analysis. The nature and energies of intermolecular non-covalent interactions, which are responsible for the supramolecular polymerization, were studied theoretically using DFT calculations and topological analysis of the electron density distribution within the formalism of Bader's theory (QTAIM method). While chloro-complexes, which feature a relatively stronger C (sp 2 )–H … Hal hydrogen bonding, form supramolecular polymers, the iodo-derivative does not self-assemble into 1-D chains due to the dominance of other crystal packing forces over the potential H⋯I contacts. Thus, the C (sp 2 )–H … Hal HB can dictate a packing preference in the solid state and serve as a useful tool for supramolecular engineers.",
keywords = "Hydrogen bond, Non-covalent interactions, Palladium, Platinum, Schiff-base complexes, Supramolecular polymers, VAN, VOLUMES, CH, MECHANISMS, IDENTIFICATION, ENERGIES",
author = "Tskhovrebov, {Alexander G.} and Novikov, {Alexander S.} and Odintsova, {Olga V.} and Mikhaylov, {Vladimir N.} and Sorokoumov, {Viktor N.} and Serebryanskaya, {Tatiyana V.} and Starova, {Galina L.}",
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doi = "10.1016/j.jorganchem.2019.01.023",
language = "English",
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journal = "Journal of Organometallic Chemistry",
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TY - JOUR

T1 - Supramolecular polymers derived from the Pt II and Pd II schiff base complexes via C(sp 2 )–H … Hal hydrogen bonding

T2 - Combined experimental and theoretical study

AU - Tskhovrebov, Alexander G.

AU - Novikov, Alexander S.

AU - Odintsova, Olga V.

AU - Mikhaylov, Vladimir N.

AU - Sorokoumov, Viktor N.

AU - Serebryanskaya, Tatiyana V.

AU - Starova, Galina L.

PY - 2019/4/15

Y1 - 2019/4/15

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AB - A synthesis of the Pd II and Pt II N,N-diaryldiazabutadiene complexes and their self-assembly into infinite 1-dimensional chains in the solid state via rare C (sp 2 )–H … Hal hydrogen bonding is reported. All the new compounds were characterized using elemental analyses (C, H, N), ESI-MS, IR, 1 H and 13 C NMR techniques and X-ray diffraction analysis. The nature and energies of intermolecular non-covalent interactions, which are responsible for the supramolecular polymerization, were studied theoretically using DFT calculations and topological analysis of the electron density distribution within the formalism of Bader's theory (QTAIM method). While chloro-complexes, which feature a relatively stronger C (sp 2 )–H … Hal hydrogen bonding, form supramolecular polymers, the iodo-derivative does not self-assemble into 1-D chains due to the dominance of other crystal packing forces over the potential H⋯I contacts. Thus, the C (sp 2 )–H … Hal HB can dictate a packing preference in the solid state and serve as a useful tool for supramolecular engineers.

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KW - Palladium

KW - Platinum

KW - Schiff-base complexes

KW - Supramolecular polymers

KW - VAN

KW - VOLUMES

KW - CH

KW - MECHANISMS

KW - IDENTIFICATION

KW - ENERGIES

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JO - Journal of Organometallic Chemistry

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SN - 0022-328X

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