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Molecular structure and force field of boron tribromide as determined from combined analysis of gas electron diffraction and spectroscopic data and supported by quantum-chemical density-functional calculationsстатья
Информация о цитировании статьи получена из
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Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
- Авторы: Martinsen Kjell-Gunnar, Vogt Natalja, Volden Hans Vidar, Lyutsarev Vasilii S., Vogt Jürgen
- Журнал: Journal of Molecular Structure
- Том: 385
- Номер: 3
- Год издания: 1996
- Издательство: Elsevier BV
- Местоположение издательства: Netherlands
- Первая страница: 159
- Последняя страница: 165
- DOI: 10.1016/S0022-2860(96)09435-5
- Аннотация: The thermal-average parameters of BBr3 at 21(1) °C were obtained from a conventional analysis of gas electron diffraction (GED) data (rg(BBr) = 190.0(4) pm). The equilibrium structure and the force constants were refined from a joint analysis of the GED intensities and vibrational frequencies using different approximations. The simplest approximation (quadratic potential function in rectilinear coordinates) is suitable for the refinements of the equilibrium bond length (rhe(BBr) = 189.6(4) pm) and the force constants of BBr3. The molecule is planar within the error limits. Quantum-chemical density-functional calculations supported planarity of the molecule.
- Добавил в систему: Люцарев Василий Сергеевич