Electronic structures of diphospha-1,3-butadienes
- 21 Downloads
SCF LCAO methods have been applied to the electronic structures of 2,3-, 1,3-, and 1,4-diphospha-1,3-butadienes; reactivity features are noted.
KeywordsButadiene Reactivity Feature
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
Unable to display preview. Download preview PDF.
- 1.L. N. Markovskii, V. D. Romanenko, and A. V. Ruban, “The Chemistry of Acyclic Two-Coordinated Phosphorus Compounds [in Russian], Naukova Dumka, Kiev (1988).Google Scholar
- 2.L. N. Markovskii, V. D. Romanenko, L. S. Kachkovskaya, et al., “1,1-bis(dialkylamino)-4,4-bis(trimethylsilyl)-2λ3,3λ3-diphospha-1,3-butadienes: highly conjugated dienes formed with the involvement of P=C π bonds,” Zh. Obshch. Khim., 57, No. 4, 901–907 (1987).Google Scholar
- 3.V. V. Pen'kovskii, “Electronic structures and reactivities in the 2,3-diphospha-1,3-butadienes,” Dokl. Akad. Nauk Ukr. SSR, No. 1, 40–43 (1990).Google Scholar
- 4.E. Magnusson and H. F. Schaefer, “Multiple d-type basis functions for molecules containing second row atoms,” J. Chem. Phys., 83, No. 11, 5721–5726 (1985).Google Scholar
- 5.R. Appel, V. Barth, and F. Knoch, “Diphosphabutadiene,” Angew. Chem., 116, No. 3, 938–950 (1983).Google Scholar
- 6.L. N. Alekseiko, V. V. Pen'kovskii, and V. I. Kharchenko, “The structures of P-substituted phosphaalkenes examined by semiempirical and nonempirical quantum-chemical methods,” Teor. Éksp. Khim., 26, No. 5, 547–555 (1990).Google Scholar
- 7.R. Appel, J. Hünerbein, and N. Siabalis, “1,4-diphospha-1,3-butadiene,” Angew. Chem., 99, No. 8, 810–811 (1987).Google Scholar
- 8.V. V. Pen'kovskii and I. E. Boldeskul, “Electronic structures and properties of the reaction centers in phosphaalkenes,” Teor. Éksp. Khim., 25, No. 2, 143–149 (1989).Google Scholar
- 9.D. K. Danovich, V. G. Zakrzewski, and E. S. Domnina, “Ionization energies of azines from Green's function method in semiempirical AM1 approximation,” J. Mol. Struct. Theochem., 188, 159–166 (1989).Google Scholar
- 10.R. Hoffmann, “Interactions of orbitals in space and through bonds,” Acc. Chem. Res., 4, No. 1, 1–9 (1971).Google Scholar
© Plenum Publishing Corporation 1991