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Mapping of N−C bond formation from a series of crystalline peri-substituted naphthalenes by charge density and solid-state NMR methodologies

Abstract:

A combination of charge density studies and solid state nuclear magnetic resonance (NMR) 1JNC coupling measurements supported by periodic density functional theory (DFT) calculations is used to characterise the transition from an n–π* interaction to bond formation between a nucleophilic nitrogen atom and an electrophilic sp2 carbon atom in a series of crystalline peri-substituted naphthalenes. As the N⋅⋅⋅C distance reduces there is a sharp decrease in the Laplacian derived from increasing cha...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1002/ange.202111100

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Materials
Role:
Author
ORCID:
0000-0002-7514-1516
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Role:
Author
ORCID:
0000-0002-3680-7100
More by this author
Role:
Author
ORCID:
0000-0002-1896-0101
Publisher:
Wiley
Journal:
Angewandte Chemie More from this journal
Volume:
133
Issue:
44
Pages:
24071-24077
Publication date:
2021-10-01
Acceptance date:
2021-08-31
DOI:
EISSN:
1521-3757
ISSN:
0044-8249
Language:
English
Keywords:
Pubs id:
1302539
Local pid:
pubs:1302539
Deposit date:
2023-07-10

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