/ Home
/ SUBMISSION

/ The BJOC
/ Diamond Open Access
/ Journal Statistics
/ Editorial Board
/ Community
/ Call for papers

/ Latest Articles
/ Most accessed
/ Thematic issues
/ Volumes
/ Authors

/ Alerts

/ TWITTER
/ LINKEDIN
/ Mastodon
/ RSS FEED

Empty search

Article Type

Publication Date Range

Search Tips

This search combines search strings from the content search (i.e. "Full Text", "Author", "Title", "Abstract", or "Keywords") with "Article Type" and "Publication Date Range" using the AND operator.

Search Examples

aromatic	the word “aromatic”
aromatic aldehyde	the word “aromatic” OR “aldehyde”
+aromatic +aldehyde	both words “aromatic” AND “aldehyde”
+aromatic -aldehyde	the word “aromatic” but NOT “aldehyde”
“aromatic aldehyde”	the exact phrase “aromatic aldehyde”
benz*	words which begin with “benz”, such as “benzene” or “benzyl”
benz*yl	words that begin with “benz” and end with “yl”, such as “benzyl” or “benzoyl”
benzyl~	words that are close to the word “benzyl”, such as “benzoyl” (i.e., fuzzy search)

Search results

Search for "hapototropic rearrangements" in Full Text gives 1 result(s) in Beilstein Journal of Organic Chemistry.

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

; density functional theory (DFT); hapototropic rearrangements; HOMO–LUMO interactions; polyene-ML2 complexes; ring-whizzing; Introduction Polyene–transition metal complexes were found to undergo fluxional rearrangements as early as 1956 with the preparation of Cp2Fe(CO)2 [1]. The migration of an MLn unit

PDF

Graphical Abstract

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

Jump to Figure 1

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

Jump to Figure 2

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

Jump to Figure 3

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

Jump to Figure 4

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

Jump to Figure 5

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

Jump to Figure 6

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

Jump to Figure 7

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

Jump to Figure 8

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

Jump to Figure 9

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

Jump to Figure 10

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

Jump to Figure 11

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

Jump to Figure 12

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

Jump to Figure 13

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

Jump to Figure 14

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

Jump to Figure 15

Album

Supp Info

Full Research Paper

Published 07 Jul 2016

Full text

Other Beilstein-Institut Open Science Activities

/ Help / Support & Contact / Alerts / Privacy Policy / Terms & Conditions / Impressum

Search results

Ring-whizzing in polyene-PtL2 complexes revisited

Ring-whizzing in polyene-PtL₂ complexes revisited