Probing Halogen−π versus CH−π Interactions in Molecular Balance

Jie Jian; Jordi Poater; Paul B. White; Christine J. McKenzie; F. Matthias Bickelhaupt; Jasmin Mecinović

doi:10.1021/acs.orglett.0c02773

Probing Halogen−π versus CH−π Interactions in Molecular Balance

Jie Jian, Jordi Poater, Paul B. White, Christine J. McKenzie, F. Matthias Bickelhaupt^*, Jasmin Mecinović^*

^*Kontaktforfatter

Institut for Fysik, Kemi og Farmaci

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

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Abstract

Molecular balances based on the dibenzobicyclo[3.2.2]nonane template enable probing of the competition between halogen−π and CH−π interactions. Structural, NMR spectroscopic, and computational analyses revealed that the π system can favorably interact both with C–X or C–H functionalities, depending on the size of the functional group.

Originalsprog	Engelsk
Tidsskrift	Organic Letters
Vol/bind	22
Udgave nummer	20
Sider (fra-til)	7870-7873
ISSN	1523-7060
DOI	https://doi.org/10.1021/acs.orglett.0c02773
Status	Udgivet - 2020

Dokumenter og links

10.1021/acs.orglett.0c02773

Open Access VersionAccepteret manuskript, 3,42 MB

1 Ph.d.-afhandling

Physical-Organic Studies on Polar–π Interactions
Jian, J., 8. jun. 2022, Syddansk Universitet. Det Naturvidenskabelige Fakultet. 313 s.
Publikation: Afhandling › Ph.d.-afhandling

Citationsformater

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title = "Probing Halogen−π versus CH−π Interactions in Molecular Balance",

abstract = "Molecular balances based on the dibenzobicyclo[3.2.2]nonane template enable probing of the competition between halogen−π and CH−π interactions. Structural, NMR spectroscopic, and computational analyses revealed that the π system can favorably interact both with C–X or C–H functionalities, depending on the size of the functional group.",

author = "Jie Jian and Jordi Poater and White, {Paul B.} and McKenzie, {Christine J.} and Bickelhaupt, {F. Matthias} and Jasmin Mecinovi{\'c}",

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T1 - Probing Halogen−π versus CH−π Interactions in Molecular Balance

AU - Jian, Jie

AU - Poater, Jordi

AU - White, Paul B.

AU - McKenzie, Christine J.

AU - Bickelhaupt, F. Matthias

AU - Mecinović, Jasmin

PY - 2020

Y1 - 2020

N2 - Molecular balances based on the dibenzobicyclo[3.2.2]nonane template enable probing of the competition between halogen−π and CH−π interactions. Structural, NMR spectroscopic, and computational analyses revealed that the π system can favorably interact both with C–X or C–H functionalities, depending on the size of the functional group.

AB - Molecular balances based on the dibenzobicyclo[3.2.2]nonane template enable probing of the competition between halogen−π and CH−π interactions. Structural, NMR spectroscopic, and computational analyses revealed that the π system can favorably interact both with C–X or C–H functionalities, depending on the size of the functional group.

U2 - 10.1021/acs.orglett.0c02773

DO - 10.1021/acs.orglett.0c02773

M3 - Journal article

C2 - 32991183

SN - 1523-7060

VL - 22

SP - 7870

EP - 7873

JO - Organic Letters

JF - Organic Letters

IS - 20

ER -

Probing Halogen−π versus CH−π Interactions in Molecular Balance

Abstract

Dokumenter og links

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Physical-Organic Studies on Polar–π Interactions

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