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1 article(s) from Albright, Thomas A

Ring-whizzing in polyene-PtL₂ complexes revisited

Oluwakemi A. Oloba-Whenu,
Thomas A. Albright and
Chirine Soubra-Ghaoui

Beilstein J. Org. Chem. 2016, 12, 1410–1420, doi:10.3762/bjoc.12.135

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Graphical Abstract

Figure 1: The four coordination geometries for d¹⁰ polyene-ML₂ complexes along with their hapto numbers and e...

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Figure 2: The important valence orbitals of a d¹⁰ ML₂ group, 5–7, along with the computed structures of Pt(PH₃...

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Figure 3: The empty degenerate set of π orbitals in the cyclopropenium cation is shown on the left side. On t...

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Figure 4: Two unoccupied MOs for Cp⁺ are shown on the left side. The two stationary points for Cp–Pt(dpe)⁺ ar...

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Figure 5: The half-filled degenerate π orbitals in cyclobutadiene. The computed ground state (15) and transit...

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Figure 6: The ground and transition state for ring whizzing in F₆C₆–Pt(dpe), 17 and 20, respectively. The dom...

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Figure 7: The LUMO, 23, and HOMO, 27, in 6-radialene. The optimized η² ground states are shown in 24 and 25 w...

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Figure 8: Two representations for the half-filled e_2u set of π orbitals in cyclooctatetraene.

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Figure 9: The stationary points found on the potential energy surface of C₈F₈–Pt(dpe). For clarity the groups...

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Figure 10: The two important bonding interactions for transition state 31 are drawn in 33 and 34.

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Figure 11: Three other coordination geometries that did not lead to new stationary points are shown in 35–37.

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Figure 12: The LUMO and LUMO+1 shown in 38 and 39, respectively. The four stationary points found for pentalen...

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Figure 13: The LUMO of the phenalenium cation is given in 44. The structures of the three stationary points fo...

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Figure 14: A top view of two stationary points found for F₈C₁₀–Pt(dpe); 48 is the ground state and 50, represe...

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Figure 15: At top view of the η⁴, 52, and η⁴, 54, transition states along with the η², 53, intermediate.

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Published 07 Jul 2016

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Ring-whizzing in polyene-PtL2 complexes revisited

Ring-whizzing in polyene-PtL₂ complexes revisited