Aromaticity Suppression by Intermolecular Coordination. Optical Spectra and Electronic Structure of Heavy Carbene Analogues with an Amidophenolate Backbone
Publication type: Journal Article
Publication date: 2019-08-15
scimago Q2
wos Q1
SJR: 0.676
CiteScore: 5.1
Impact factor: 2.9
ISSN: 02767333, 15206041
Organic Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
Experimental optical (UV–vis, Raman) and computational magnetic (NICS, GIMIC) criteria were used to study the aromaticity of group 14 N,O-heterocyclic carbenes tBuAPE (AP = amidophenolate, E = Ge, Sn, Pb). The UV–vis and Raman spectra of the monomeric compound with E = Ge were shown to differ significantly from those of dimeric compounds with E = Sn, Pb. The reason for these phenomena is suppression in the dimeric molecules of 10 π-electron aromaticity due to partial filling of the vacant pz orbital of the EII atom caused by intermolecular coordination N→EII. The monomeric forms of all molecules studied are aromatic according to all the criteria used.
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Aysin R. et al. Aromaticity Suppression by Intermolecular Coordination. Optical Spectra and Electronic Structure of Heavy Carbene Analogues with an Amidophenolate Backbone // Organometallics. 2019. Vol. 38. No. 16. pp. 3174-3180.
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Aysin R., Bukalov S. S., Leites L., Lalov A. V., Tsys K. V., Piskunov A. V. Aromaticity Suppression by Intermolecular Coordination. Optical Spectra and Electronic Structure of Heavy Carbene Analogues with an Amidophenolate Backbone // Organometallics. 2019. Vol. 38. No. 16. pp. 3174-3180.
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TY - JOUR
DO - 10.1021/acs.organomet.9b00434
UR - https://doi.org/10.1021/acs.organomet.9b00434
TI - Aromaticity Suppression by Intermolecular Coordination. Optical Spectra and Electronic Structure of Heavy Carbene Analogues with an Amidophenolate Backbone
T2 - Organometallics
AU - Aysin, Rinat
AU - Bukalov, S. S.
AU - Leites, Larissa
AU - Lalov, A V
AU - Tsys, K V
AU - Piskunov, Alexander V.
PY - 2019
DA - 2019/08/15
PB - American Chemical Society (ACS)
SP - 3174-3180
IS - 16
VL - 38
SN - 0276-7333
SN - 1520-6041
ER -
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@article{2019_Aysin,
author = {Rinat Aysin and S. S. Bukalov and Larissa Leites and A V Lalov and K V Tsys and Alexander V. Piskunov},
title = {Aromaticity Suppression by Intermolecular Coordination. Optical Spectra and Electronic Structure of Heavy Carbene Analogues with an Amidophenolate Backbone},
journal = {Organometallics},
year = {2019},
volume = {38},
publisher = {American Chemical Society (ACS)},
month = {aug},
url = {https://doi.org/10.1021/acs.organomet.9b00434},
number = {16},
pages = {3174--3180},
doi = {10.1021/acs.organomet.9b00434}
}
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Aysin, Rinat, et al. “Aromaticity Suppression by Intermolecular Coordination. Optical Spectra and Electronic Structure of Heavy Carbene Analogues with an Amidophenolate Backbone.” Organometallics, vol. 38, no. 16, Aug. 2019, pp. 3174-3180. https://doi.org/10.1021/acs.organomet.9b00434.