том 480 издание 4-6 страницы 157-160

Electronic structures and properties of MAu and MOH, where M = Tl and element 113

Тип публикацииJournal Article
Дата публикации2009-10-01
scimago Q2
wos Q2
БС2
SJR0.546
CiteScore5.9
Impact factor3.1
ISSN00092614, 18734448
Physical and Theoretical Chemistry
General Physics and Astronomy
Краткое описание
Fully relativistic DFT calculations were performed for MAu and MOH, where M = Tl and element 113. Both 113Au and 113OH were found to be stable but weaker bound than their Tl homologs. The reason for the bond weakening is the relativistic stabilization of the main contributing 7p1/2(113) AO in contrast to the 6s, 6p1/2 and 6p3/2 AOs of Tl. On the basis of the calculations for MAu, an estimate of the adsorption enthalpy of element 113 on gold is given as −158.6 kJ/mol. In the oxygen atmosphere, 113OH is expected to be preferentially formed and adsorbed on gold.
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Pershina V., Anton J., Jacob T. Electronic structures and properties of MAu and MOH, where M = Tl and element 113 // Chemical Physics Letters. 2009. Vol. 480. No. 4-6. pp. 157-160.
ГОСТ со всеми авторами (до 50) Скопировать
Pershina V., Anton J., Jacob T. Electronic structures and properties of MAu and MOH, where M = Tl and element 113 // Chemical Physics Letters. 2009. Vol. 480. No. 4-6. pp. 157-160.
RIS |
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TY - JOUR
DO - 10.1016/j.cplett.2009.08.069
UR - https://doi.org/10.1016/j.cplett.2009.08.069
TI - Electronic structures and properties of MAu and MOH, where M = Tl and element 113
T2 - Chemical Physics Letters
AU - Pershina, V
AU - Anton, J.
AU - Jacob, Timo
PY - 2009
DA - 2009/10/01
PB - Elsevier
SP - 157-160
IS - 4-6
VL - 480
SN - 0009-2614
SN - 1873-4448
ER -
BibTex |
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BibTex (до 50 авторов) Скопировать
@article{2009_Pershina,
author = {V Pershina and J. Anton and Timo Jacob},
title = {Electronic structures and properties of MAu and MOH, where M = Tl and element 113},
journal = {Chemical Physics Letters},
year = {2009},
volume = {480},
publisher = {Elsevier},
month = {oct},
url = {https://doi.org/10.1016/j.cplett.2009.08.069},
number = {4-6},
pages = {157--160},
doi = {10.1016/j.cplett.2009.08.069}
}
MLA
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Pershina, V., et al. “Electronic structures and properties of MAu and MOH, where M = Tl and element 113.” Chemical Physics Letters, vol. 480, no. 4-6, Oct. 2009, pp. 157-160. https://doi.org/10.1016/j.cplett.2009.08.069.