The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes
Тип публикации: Journal Article
Дата публикации: 2017-04-19
SCImago Q1
Tоп 10% SCImago
WOS Q1
БС1
SJR: 5.491
CiteScore: 22.5
Impact factor: 15.6
ISSN: 00027863, 15205126
PubMed ID:
28423893
General Chemistry
Catalysis
Biochemistry
Colloid and Surface Chemistry
Краткое описание
The least stable isomer of the parental BN naphthalene series has been synthesized in a simple four-step sequence. Its experimental electronic structure characterization via UV-PES, cyclic voltammetry, and UV-vis spectroscopy in direct comparison with three other known BN naphthalene isomers has established two guiding principles for predicting the electronic structures of BN acene compounds: (1) Orientational BN isomers have similar HOMO-LUMO gaps. (2) For each pair of orientational BN isomers, the more thermodynamically stable compound has the lower HOMO energy. Furthermore, we demonstrate that BN/CC isosterism in the context of BN-9,1-Naph can impact crystal packing to favor a cofacial π-stack motif.
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Liu Z. et al. The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes // Journal of the American Chemical Society. 2017. Vol. 139. No. 17. pp. 6082-6085.
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Liu Z., Ishibashi J. S. A., Darrigan C., Dargelos A., Chrostowska A., Li B., Vasiliu M., Dixon D. A., Liu S. The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes // Journal of the American Chemical Society. 2017. Vol. 139. No. 17. pp. 6082-6085.
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TY - JOUR
DO - 10.1021/jacs.7b02661
UR - https://doi.org/10.1021/jacs.7b02661
TI - The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes
T2 - Journal of the American Chemical Society
AU - Liu, Zhiqiang
AU - Ishibashi, Jacob S. A.
AU - Darrigan, Clovis
AU - Dargelos, Alain
AU - Chrostowska, Anna
AU - Li, Bo
AU - Vasiliu, Monica
AU - Dixon, David A
AU - Liu, Shih-Yuan
PY - 2017
DA - 2017/04/19
PB - American Chemical Society (ACS)
SP - 6082-6085
IS - 17
VL - 139
PMID - 28423893
SN - 0002-7863
SN - 1520-5126
ER -
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@article{2017_Liu,
author = {Zhiqiang Liu and Jacob S. A. Ishibashi and Clovis Darrigan and Alain Dargelos and Anna Chrostowska and Bo Li and Monica Vasiliu and David A Dixon and Shih-Yuan Liu},
title = {The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes},
journal = {Journal of the American Chemical Society},
year = {2017},
volume = {139},
publisher = {American Chemical Society (ACS)},
month = {apr},
url = {https://doi.org/10.1021/jacs.7b02661},
number = {17},
pages = {6082--6085},
doi = {10.1021/jacs.7b02661}
}
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MLA
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Liu, Zhiqiang, et al. “The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes.” Journal of the American Chemical Society, vol. 139, no. 17, Apr. 2017, pp. 6082-6085. https://doi.org/10.1021/jacs.7b02661.
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