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The molecular structure of tetra-terf-butyldiphosphine: An extremely distorted, sterically crowded moleculeстатья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 14 февраля 2019 г.
- Авторы: Hinchley S.L., Robertson H.E., Borisenko K.B., Turner A.R., Johnston B.F., Rankin D.W.H, Ahmadian M., Jones J.N., Cowley A.H.
- Журнал: Dalton Transactions
- Номер: 16
- Год издания: 2004
- Издательство: Royal Society of Chemistry
- Местоположение издательства: United Kingdom
- Первая страница: 2469
- Последняя страница: 2476
- DOI: 10.1039/b407908f
- Аннотация: The molecular structure of tetra-tert-butyldiphosphine has been determined in the gas phase by electron diffraction using the new DYNAMITE method and in the crystalline phase by X-ray diffraction. Ab initio methods were employed to gain a greater understanding of the structural preferences of this molecule in the gas phase, and to determine the intrinsic P-P bond energy, using recently described methods. Although the P-P bond is relatively long [GED 226.4(8) pm; X-ray 223.4(1) pm] and the dissociation energy is computed to be correspondingly small (150.6 kJ mol-1), the intrinsic energy of this bond (258.2 kJ mol-1) is normal for a diphosphine. The gaseous data were refined using the new Edinburgh structure refinement program ed@ed, which is described in detail. The molecular structure of gaseous P2Bu4 t is compared to that of the isoelectronic 1,1,2,2-tetra-tert- butyldisilane. The molecules adopt a conformation with C2 symmetry. The P-P-C angles returned from the gas electron diffraction refinement are 118.8(6) and 98.9(6)°, a difference of 20°, whilst the C-P-C angle is 110.3(8)°. The corresponding parameters in the crystal are 120.9(1), 99.5(1) and 109.5(1)°. There are also large deformations within the tert-butyl groups, making the DYNAMITE analysis for this molecule extremely important.
- Добавил в систему: Borisenko Konstantin B.