close

Вход

Забыли?

вход по аккаунту

?

код для вставки
2005
Theory
C 1000
33- 001
How Short Can the H···H Intermolecular Contact Be? New Findings that Reveal
the Covalent Nature of Extremely Strong Interactions. — The complexes
H2OH+···HBeH, H2OH+···HBeBeH, H2OH+···HBeF, HClOH+···HBeH, Cl 2OH+···HBeH,
and Cl2OH+···HBeF are characterized by ab initio calculations at the MP2 level of theory. The predicted H···H intermolecular distances are in the range of 1.0—1.3 Å (the
shortest yet reported), one-half of the corresponding sum of van der Waals radii. This
may suggest that H···H interactions are partly covalent. The results are discussed in
terms of the Laplacian of the electron density and the characteristics of bond critical
points according to the Bader theory. — (GRABOWSKI*, S. J.; SOKALSKI, W. A.;
LESZCZYNSKI, J.; J. Phys. Chem. A 109 (2005) 19, 4331-4341; Dep. Crystallogr.,
Univ. Lodz, PL-90-136 Lodz, Pol.; Eng.) — W. Pewestorf
Документ
Категория
Без категории
Просмотров
0
Размер файла
9 Кб
Теги
1/--страниц
Пожаловаться на содержимое документа