Competition of Hydrogen Bonds and Halogen Bonds in Complexes of Hypohalous Acids with Nitrogenated Bases
Тип публикации: Journal Article
Дата публикации: 2008-10-07
scimago Q2
wos Q2
БС2
SJR: 0.634
CiteScore: 4.8
Impact factor: 2.8
ISSN: 10895639, 15205215
PubMed ID:
18837495
Physical and Theoretical Chemistry
Краткое описание
A theoretical study of the complexes formed by hypohalous acids (HOX, X = F, Cl, Br, I, and At) with three nitrogenated bases (NH 3, N 2, and NCH) has been carried out by means of ab initio methods, up to MP2/aug-cc-pVTZ computational method. In general, two minima complexes are found, one with an OH...N hydrogen bond and the other one with a X...N halogen bond. While the first one is more stable for the smallest halogen derivatives, the two complexes present similar stabilities for the iodine case and the halogen-bonded structure is the most stable one for the hypoastatous acid complexes.
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ГОСТ
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Alkorta I. et al. Competition of Hydrogen Bonds and Halogen Bonds in Complexes of Hypohalous Acids with Nitrogenated Bases // Journal of Physical Chemistry A. 2008. Vol. 112. No. 43. pp. 10856-10863.
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Alkorta I., Blanco F., Solimannejad M., Elguero J. Competition of Hydrogen Bonds and Halogen Bonds in Complexes of Hypohalous Acids with Nitrogenated Bases // Journal of Physical Chemistry A. 2008. Vol. 112. No. 43. pp. 10856-10863.
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TY - JOUR
DO - 10.1021/jp806101t
UR - https://doi.org/10.1021/jp806101t
TI - Competition of Hydrogen Bonds and Halogen Bonds in Complexes of Hypohalous Acids with Nitrogenated Bases
T2 - Journal of Physical Chemistry A
AU - Alkorta, Ibon
AU - Blanco, Fernando
AU - Solimannejad, Mohammad
AU - Elguero, José
PY - 2008
DA - 2008/10/07
PB - American Chemical Society (ACS)
SP - 10856-10863
IS - 43
VL - 112
PMID - 18837495
SN - 1089-5639
SN - 1520-5215
ER -
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BibTex (до 50 авторов)
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@article{2008_Alkorta,
author = {Ibon Alkorta and Fernando Blanco and Mohammad Solimannejad and José Elguero},
title = {Competition of Hydrogen Bonds and Halogen Bonds in Complexes of Hypohalous Acids with Nitrogenated Bases},
journal = {Journal of Physical Chemistry A},
year = {2008},
volume = {112},
publisher = {American Chemical Society (ACS)},
month = {oct},
url = {https://doi.org/10.1021/jp806101t},
number = {43},
pages = {10856--10863},
doi = {10.1021/jp806101t}
}
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MLA
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Alkorta, Ibon, et al. “Competition of Hydrogen Bonds and Halogen Bonds in Complexes of Hypohalous Acids with Nitrogenated Bases.” Journal of Physical Chemistry A, vol. 112, no. 43, Oct. 2008, pp. 10856-10863. https://doi.org/10.1021/jp806101t.