Stabilization of non-standard conformations of the annulene rings in cyclobutadiene-framed [n]annulenes (n = 8, 10, 12, 14) and their beryllium ... View Full Text


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Article Info

DATE

2016-04-13

AUTHORS

Tatyana N. Gribanova, Ruslan M. Minyaev, Vladimir I. Minkin

ABSTRACT

The structures of a series of polycyclic derivatives of [n]annulenes (n = 8, 10, 12, 14) functionalized with peripheral cyclobutadiene rings were studied using the DFT B3LYP/6-311+G(3df,2p) and M062X/6-311+G(3df,2p) methods. The compounds with n = 8 and 10 have the planar and those with n = 12, 14 saddle-shaped conformations of the central rings. Stabilization of non-standard planar forms of the hydrocarbons with central 12- and 14-membered conjugated rings may be achieved through π-complexation of C=C bonds of the cyclobutadiene fragments with beryllium atoms to afford the sandwich-like complexes with circular arrangement of beryllium centers around the perimeter of a ligand. More... »

PAGES

1229-1240

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s11224-016-0748-3

DOI

http://dx.doi.org/10.1007/s11224-016-0748-3

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1051884980


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