Two new Ni(II) Schiff base complexes: X-ray absolute structure determination, synthesis of a 15N-labelled complex and full assignment of its 1H NMR and 13C NMR spektra.

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F07%3A00006350" target="_blank" >RIV/00216275:25310/07:00006350 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Two new Ni(II) Schiff base complexes: X-ray absolute structure determination, synthesis of a 15N-labelled complex and full assignment of its 1H NMR and 13C NMR spektra.

Original language description

The Ni(II) complex of the Schiff base of (S)-N-(2-benzoyl-4-chlorophenyl)-1-benzylpyrrolidine-2-carboxamide and glycine (1) [GKCl] and the hemihydrate of the Ni(II) complex of the Schiff base of (S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide and 2-aminoisobutiric acid (2) [Me2GK] were prepared and their absolute structures determined. The conformations of the complexes and their hydrogen bonding are discussed in detail. In complex 2, the repulsion between the benzyl group and an equatorial methyl group should affect the conformation of the benzyl group, distribution of the p-electron density in this group and distortion of the internal coordination sphere, while for complex 1, only minor conformational changes were expected. 1H and 13C NMR data for the 15N-labelled complex 2 were acquired and fully assigned in order to study the influence of p-electron density of the benzyl group to the long-range 13C?15N and 13C?13C spin?spin interactions.

Czech name

Two new Ni(II) Schiff base complexes: X-ray absolute structure determination, synthesis of a 15N-labelled complex and full assignment of its 1H NMR and 13C NMR spektra.

Czech description

The Ni(II) complex of the Schiff base of (S)-N-(2-benzoyl-4-chlorophenyl)-1-benzylpyrrolidine-2-carboxamide and glycine (1) [GKCl] and the hemihydrate of the Ni(II) complex of the Schiff base of (S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide and 2-aminoisobutiric acid (2) [Me2GK] were prepared and their absolute structures determined. The conformations of the complexes and their hydrogen bonding are discussed in detail. In complex 2, the repulsion between the benzyl group and an equatorial methyl group should affect the conformation of the benzyl group, distribution of the p-electron density in this group and distortion of the internal coordination sphere, while for complex 1, only minor conformational changes were expected. 1H and 13C NMR data for the 15N-labelled complex 2 were acquired and fully assigned in order to study the influence of p-electron density of the benzyl group to the long-range 13C?15N and 13C?13C spin?spin interactions.

Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CA - Inorganic chemistry

OECD FORD branch

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Project

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Continuities

S - Specificky vyzkum na vysokych skolach

Publication year

2007

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Polyhedron

ISSN

0277-5387

e-ISSN

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Volume of the periodical

26

Issue of the periodical within the volume

4

Country of publishing house

GB - UNITED KINGDOM

Number of pages

7

Pages from-to

911-917

UT code for WoS article

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EID of the result in the Scopus database

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