Substituent Control of σ-Interference Effects in the Transmission of Saturated Molecules

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Standard

Substituent Control of σ-Interference Effects in the Transmission of Saturated Molecules. / Garner, Marc H.; Koerstz, Mads; Jensen, Jan H.; Solomon, Gemma C.

I: ACS Physical Chemistry Au, Bind 2, Nr. 4, 14.04.2022, s. 282-288.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt

Harvard

Garner, MH, Koerstz, M, Jensen, JH & Solomon, GC 2022, 'Substituent Control of σ-Interference Effects in the Transmission of Saturated Molecules', ACS Physical Chemistry Au, bind 2, nr. 4, s. 282-288. https://doi.org/10.1021/acsphyschemau.2c00016

APA

Garner, M. H., Koerstz, M., Jensen, J. H., & Solomon, G. C. (2022). Substituent Control of σ-Interference Effects in the Transmission of Saturated Molecules. ACS Physical Chemistry Au, 2(4), 282-288. https://doi.org/10.1021/acsphyschemau.2c00016

Vancouver

Garner MH, Koerstz M, Jensen JH, Solomon GC. Substituent Control of σ-Interference Effects in the Transmission of Saturated Molecules. ACS Physical Chemistry Au. 2022 apr. 14;2(4):282-288. https://doi.org/10.1021/acsphyschemau.2c00016

Author

Garner, Marc H. ; Koerstz, Mads ; Jensen, Jan H. ; Solomon, Gemma C. / Substituent Control of σ-Interference Effects in the Transmission of Saturated Molecules. I: ACS Physical Chemistry Au. 2022 ; Bind 2, Nr. 4. s. 282-288.

Bibtex

@article{23a24fdb4bfa4e3d926eb7216e502dec,
title = "Substituent Control of σ-Interference Effects in the Transmission of Saturated Molecules",
abstract = "The single-molecule conductance of saturated molecules can potentially be fully suppressed by destructive quantum interference in their σ-system. However, only few molecules with σ-interference have been identified, and the structure–property relationship remains to be elucidated. Here, we explore the role of substituents in modulating the electronic transmission of saturated molecules. In functionalized bicyclo[2.2.2]octanes, the transmission is suppressed by σ-interference when fluorine substituents are applied. For bicyclo[2.2.2]octasilane and -octagermanes, the transmission is suppressed when carbon-based substituents are used, and such molecules are likely to be highly insulating. For the carbon-based substituents, we find a strong correlation between the appropriate Hammett constants and the transmission. The substituent effect enables systematic optimization of the insulating properties of saturated molecular cores.",
author = "Garner, {Marc H.} and Mads Koerstz and Jensen, {Jan H.} and Solomon, {Gemma C.}",
year = "2022",
month = apr,
day = "14",
doi = "10.1021/acsphyschemau.2c00016",
language = "English",
volume = "2",
pages = "282--288",
journal = "ACS Physical Chemistry Au",
issn = "2694-2445",
publisher = "American Chemical Society",
number = "4",

}

RIS

TY - JOUR

T1 - Substituent Control of σ-Interference Effects in the Transmission of Saturated Molecules

AU - Garner, Marc H.

AU - Koerstz, Mads

AU - Jensen, Jan H.

AU - Solomon, Gemma C.

PY - 2022/4/14

Y1 - 2022/4/14

N2 - The single-molecule conductance of saturated molecules can potentially be fully suppressed by destructive quantum interference in their σ-system. However, only few molecules with σ-interference have been identified, and the structure–property relationship remains to be elucidated. Here, we explore the role of substituents in modulating the electronic transmission of saturated molecules. In functionalized bicyclo[2.2.2]octanes, the transmission is suppressed by σ-interference when fluorine substituents are applied. For bicyclo[2.2.2]octasilane and -octagermanes, the transmission is suppressed when carbon-based substituents are used, and such molecules are likely to be highly insulating. For the carbon-based substituents, we find a strong correlation between the appropriate Hammett constants and the transmission. The substituent effect enables systematic optimization of the insulating properties of saturated molecular cores.

AB - The single-molecule conductance of saturated molecules can potentially be fully suppressed by destructive quantum interference in their σ-system. However, only few molecules with σ-interference have been identified, and the structure–property relationship remains to be elucidated. Here, we explore the role of substituents in modulating the electronic transmission of saturated molecules. In functionalized bicyclo[2.2.2]octanes, the transmission is suppressed by σ-interference when fluorine substituents are applied. For bicyclo[2.2.2]octasilane and -octagermanes, the transmission is suppressed when carbon-based substituents are used, and such molecules are likely to be highly insulating. For the carbon-based substituents, we find a strong correlation between the appropriate Hammett constants and the transmission. The substituent effect enables systematic optimization of the insulating properties of saturated molecular cores.

U2 - 10.1021/acsphyschemau.2c00016

DO - 10.1021/acsphyschemau.2c00016

M3 - Journal article

C2 - 36855417

VL - 2

SP - 282

EP - 288

JO - ACS Physical Chemistry Au

JF - ACS Physical Chemistry Au

SN - 2694-2445

IS - 4

ER -

ID: 315216440