Piperazine-based N4-type 16-membered macroheterocycles and their nickel(II) complexes

Square-planar diamagnetic nickel(II) complexes 5a and 5b containing 16-membered diamino-diimino ligands were prepared from the corresponding open-chain complexes 2a and 2b via condensation with o-phthalic dialdehyde in methanol. The solid-state structure of the starting complex 2b revealed the cisoi...

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Main Authors: Vatsadze, Sergey Z., Krut’ko, Dmitry P., Blake, Alexander J., Mountford, Philip
Format: Article
Published: ISUCT Publishing 2017
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Online Access:https://eprints.nottingham.ac.uk/43476/
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author Vatsadze, Sergey Z.
Krut’ko, Dmitry P.
Blake, Alexander J.
Mountford, Philip
author_facet Vatsadze, Sergey Z.
Krut’ko, Dmitry P.
Blake, Alexander J.
Mountford, Philip
author_sort Vatsadze, Sergey Z.
building Nottingham Research Data Repository
collection Online Access
description Square-planar diamagnetic nickel(II) complexes 5a and 5b containing 16-membered diamino-diimino ligands were prepared from the corresponding open-chain complexes 2a and 2b via condensation with o-phthalic dialdehyde in methanol. The solid-state structure of the starting complex 2b revealed the cisoid conformation of aryl groups compared to the transoid one found in the case of 2a. At the same time, the cisoid conformation is not retained in acetone solution: rather, the tert-Bu-substituted complex 2b was fully transformed into the trans form whereas its analogue 2aexhibits both cis and transforms in acetone solution. The cisoid conformation was also observed for the cyclic structures 5a and 5b by X-ray analysis and VT NMR experiments. The borohydride reduction of 5a with subsequent cyanide-assisted removal of nickel led to a new 16-membered tetraazamacrocycle 6. Its X-ray structure showed a cisoid conformation supported by two intramolecular hydrogen bonds that was also sustained in solution. VT NMR experiments revealed the degenerative interconvertion of a macrocycle with activation energy ca. 41.9±0.8 kJ/mol.
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spelling nottingham-434762020-05-04T18:49:06Z https://eprints.nottingham.ac.uk/43476/ Piperazine-based N4-type 16-membered macroheterocycles and their nickel(II) complexes Vatsadze, Sergey Z. Krut’ko, Dmitry P. Blake, Alexander J. Mountford, Philip Square-planar diamagnetic nickel(II) complexes 5a and 5b containing 16-membered diamino-diimino ligands were prepared from the corresponding open-chain complexes 2a and 2b via condensation with o-phthalic dialdehyde in methanol. The solid-state structure of the starting complex 2b revealed the cisoid conformation of aryl groups compared to the transoid one found in the case of 2a. At the same time, the cisoid conformation is not retained in acetone solution: rather, the tert-Bu-substituted complex 2b was fully transformed into the trans form whereas its analogue 2aexhibits both cis and transforms in acetone solution. The cisoid conformation was also observed for the cyclic structures 5a and 5b by X-ray analysis and VT NMR experiments. The borohydride reduction of 5a with subsequent cyanide-assisted removal of nickel led to a new 16-membered tetraazamacrocycle 6. Its X-ray structure showed a cisoid conformation supported by two intramolecular hydrogen bonds that was also sustained in solution. VT NMR experiments revealed the degenerative interconvertion of a macrocycle with activation energy ca. 41.9±0.8 kJ/mol. ISUCT Publishing 2017-06-07 Article PeerReviewed Vatsadze, Sergey Z., Krut’ko, Dmitry P., Blake, Alexander J. and Mountford, Philip (2017) Piperazine-based N4-type 16-membered macroheterocycles and their nickel(II) complexes. Macroheterocycles, 10 (1). pp. 98-109. ISSN 1998-9539 16-Membered macroheterocycles Diamagnetic nickel(II) complexes Positron emission tomography X-ray diffraction NMR spectroscopy Conformational analysis https://macroheterocycles.isuct.ru/en/mhc161179v doi:10.6060/mhc161179v doi:10.6060/mhc161179v
spellingShingle 16-Membered macroheterocycles
Diamagnetic nickel(II) complexes
Positron emission tomography
X-ray diffraction
NMR spectroscopy
Conformational analysis
Vatsadze, Sergey Z.
Krut’ko, Dmitry P.
Blake, Alexander J.
Mountford, Philip
Piperazine-based N4-type 16-membered macroheterocycles and their nickel(II) complexes
title Piperazine-based N4-type 16-membered macroheterocycles and their nickel(II) complexes
title_full Piperazine-based N4-type 16-membered macroheterocycles and their nickel(II) complexes
title_fullStr Piperazine-based N4-type 16-membered macroheterocycles and their nickel(II) complexes
title_full_unstemmed Piperazine-based N4-type 16-membered macroheterocycles and their nickel(II) complexes
title_short Piperazine-based N4-type 16-membered macroheterocycles and their nickel(II) complexes
title_sort piperazine-based n4-type 16-membered macroheterocycles and their nickel(ii) complexes
topic 16-Membered macroheterocycles
Diamagnetic nickel(II) complexes
Positron emission tomography
X-ray diffraction
NMR spectroscopy
Conformational analysis
url https://eprints.nottingham.ac.uk/43476/
https://eprints.nottingham.ac.uk/43476/
https://eprints.nottingham.ac.uk/43476/