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    Rights statement: This is the peer reviewed version of the following article: M. Baghernejad, Y. Yang, O. A. Al-Owaedi, Y. Aeschi, B.-F. Zeng, Z. M. Abd Dawood, X. Li, J. Liu, J. Shi, S. Decurtins, S.-X. Liu, W. Hong, C. J. Lambert, Chem. Eur. J. 2020, 26, 5264 which has been published in final form at https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.201905878 This article may be used for non-commercial purposes in accordance With Wiley Terms and Conditions for self-archiving.

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Constructive Quantum Interference in Single-Molecule Benzodichalcogenophene Junctions

Research output: Contribution to Journal/MagazineJournal articlepeer-review

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Constructive Quantum Interference in Single-Molecule Benzodichalcogenophene Junctions. / Baghernejad, M.; Yang, Y.; Al-Owaedi, O.A. et al.
In: Chemistry - A European Journal, Vol. 26, No. 23, 21.04.2020, p. 5264-5269.

Research output: Contribution to Journal/MagazineJournal articlepeer-review

Harvard

Baghernejad, M, Yang, Y, Al-Owaedi, OA, Aeschi, Y, Zeng, B-F, Abd Dawood, ZM, Li, X, Liu, J, Shi, J, Decurtins, S, Liu, S-X, Hong, W & Lambert, CJ 2020, 'Constructive Quantum Interference in Single-Molecule Benzodichalcogenophene Junctions', Chemistry - A European Journal, vol. 26, no. 23, pp. 5264-5269. https://doi.org/10.1002/chem.201905878

APA

Baghernejad, M., Yang, Y., Al-Owaedi, O. A., Aeschi, Y., Zeng, B-F., Abd Dawood, Z. M., Li, X., Liu, J., Shi, J., Decurtins, S., Liu, S-X., Hong, W., & Lambert, C. J. (2020). Constructive Quantum Interference in Single-Molecule Benzodichalcogenophene Junctions. Chemistry - A European Journal, 26(23), 5264-5269. https://doi.org/10.1002/chem.201905878

Vancouver

Baghernejad M, Yang Y, Al-Owaedi OA, Aeschi Y, Zeng B-F, Abd Dawood ZM et al. Constructive Quantum Interference in Single-Molecule Benzodichalcogenophene Junctions. Chemistry - A European Journal. 2020 Apr 21;26(23):5264-5269. Epub 2020 Mar 31. doi: 10.1002/chem.201905878

Author

Baghernejad, M. ; Yang, Y. ; Al-Owaedi, O.A. et al. / Constructive Quantum Interference in Single-Molecule Benzodichalcogenophene Junctions. In: Chemistry - A European Journal. 2020 ; Vol. 26, No. 23. pp. 5264-5269.

Bibtex

@article{5554db695e7d47bbac657062b88e4c88,
title = "Constructive Quantum Interference in Single-Molecule Benzodichalcogenophene Junctions",
abstract = "Heteroatom substitution into the cores of alternant, aromatic hydrocarbons containing only even-membered rings is attracting increasing interest as a method of tuning their electrical conductance. Here, the effect of heteroatom substitution into molecular cores of non-alternant hydrocarbons, containing odd-membered rings, is examined. Benzodichalcogenophene (BDC) compounds are rigid, planar pi-conjugated structures, with molecular cores containing five-membered rings fused to a six-membered aryl ring. To probe the sensitivity or resilience of constructive quantum interference (CQI) in these non-bipartite molecular cores, two C-2-symmetric molecules (I and II) and one asymmetric molecule (III) were investigated. I (II) contains S (O) heteroatoms in each of the five-membered rings, while III contains an S in one five-membered ring and an O in the other. Differences in their conductances arise primarily from the longer S-C and shorter O-C bond lengths compared with the C-C bond and the associated changes in their resonance integrals. Although the conductance of III is significantly lower than the conductances of the others, CQI was found to be resilient and persist in all molecules.",
keywords = "density functional calculations, perturbation theory, quantum interference, scanning tunneling microscopy, single-molecule conductors",
author = "M. Baghernejad and Y. Yang and O.A. Al-Owaedi and Y. Aeschi and B.-F. Zeng and {Abd Dawood}, Z.M. and X. Li and J. Liu and J. Shi and S. Decurtins and S.-X. Liu and W. Hong and C.J. Lambert",
note = "This is the peer reviewed version of the following article: M. Baghernejad, Y. Yang, O. A. Al-Owaedi, Y. Aeschi, B.-F. Zeng, Z. M. Abd Dawood, X. Li, J. Liu, J. Shi, S. Decurtins, S.-X. Liu, W. Hong, C. J. Lambert, Chem. Eur. J. 2020, 26, 5264 which has been published in final form at https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.201905878 This article may be used for non-commercial purposes in accordance With Wiley Terms and Conditions for self-archiving. ",
year = "2020",
month = apr,
day = "21",
doi = "10.1002/chem.201905878",
language = "English",
volume = "26",
pages = "5264--5269",
journal = "Chemistry - A European Journal",
issn = "0947-6539",
publisher = "Wiley-VCH Verlag",
number = "23",

}

RIS

TY - JOUR

T1 - Constructive Quantum Interference in Single-Molecule Benzodichalcogenophene Junctions

AU - Baghernejad, M.

AU - Yang, Y.

AU - Al-Owaedi, O.A.

AU - Aeschi, Y.

AU - Zeng, B.-F.

AU - Abd Dawood, Z.M.

AU - Li, X.

AU - Liu, J.

AU - Shi, J.

AU - Decurtins, S.

AU - Liu, S.-X.

AU - Hong, W.

AU - Lambert, C.J.

N1 - This is the peer reviewed version of the following article: M. Baghernejad, Y. Yang, O. A. Al-Owaedi, Y. Aeschi, B.-F. Zeng, Z. M. Abd Dawood, X. Li, J. Liu, J. Shi, S. Decurtins, S.-X. Liu, W. Hong, C. J. Lambert, Chem. Eur. J. 2020, 26, 5264 which has been published in final form at https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.201905878 This article may be used for non-commercial purposes in accordance With Wiley Terms and Conditions for self-archiving.

PY - 2020/4/21

Y1 - 2020/4/21

N2 - Heteroatom substitution into the cores of alternant, aromatic hydrocarbons containing only even-membered rings is attracting increasing interest as a method of tuning their electrical conductance. Here, the effect of heteroatom substitution into molecular cores of non-alternant hydrocarbons, containing odd-membered rings, is examined. Benzodichalcogenophene (BDC) compounds are rigid, planar pi-conjugated structures, with molecular cores containing five-membered rings fused to a six-membered aryl ring. To probe the sensitivity or resilience of constructive quantum interference (CQI) in these non-bipartite molecular cores, two C-2-symmetric molecules (I and II) and one asymmetric molecule (III) were investigated. I (II) contains S (O) heteroatoms in each of the five-membered rings, while III contains an S in one five-membered ring and an O in the other. Differences in their conductances arise primarily from the longer S-C and shorter O-C bond lengths compared with the C-C bond and the associated changes in their resonance integrals. Although the conductance of III is significantly lower than the conductances of the others, CQI was found to be resilient and persist in all molecules.

AB - Heteroatom substitution into the cores of alternant, aromatic hydrocarbons containing only even-membered rings is attracting increasing interest as a method of tuning their electrical conductance. Here, the effect of heteroatom substitution into molecular cores of non-alternant hydrocarbons, containing odd-membered rings, is examined. Benzodichalcogenophene (BDC) compounds are rigid, planar pi-conjugated structures, with molecular cores containing five-membered rings fused to a six-membered aryl ring. To probe the sensitivity or resilience of constructive quantum interference (CQI) in these non-bipartite molecular cores, two C-2-symmetric molecules (I and II) and one asymmetric molecule (III) were investigated. I (II) contains S (O) heteroatoms in each of the five-membered rings, while III contains an S in one five-membered ring and an O in the other. Differences in their conductances arise primarily from the longer S-C and shorter O-C bond lengths compared with the C-C bond and the associated changes in their resonance integrals. Although the conductance of III is significantly lower than the conductances of the others, CQI was found to be resilient and persist in all molecules.

KW - density functional calculations

KW - perturbation theory

KW - quantum interference

KW - scanning tunneling microscopy

KW - single-molecule conductors

U2 - 10.1002/chem.201905878

DO - 10.1002/chem.201905878

M3 - Journal article

VL - 26

SP - 5264

EP - 5269

JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

SN - 0947-6539

IS - 23

ER -