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Stable complex C 2 H 4 Al 4 Li 3 − and its similarity with bicyclo[2.2.0]hex‐2‐ene: A DFT study
Author(s) -
Satpati Priyadarshi
Publication year - 2011
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.22935
Subject(s) - moiety , bicyclic molecule , chemistry , ene reaction , antiaromaticity , ring (chemistry) , stereochemistry , aromaticity , metal , group 2 organometallic chemistry , crystallography , molecule , organic chemistry
We propose that complexation of all metal antiaromatic Al 4 Li 3 −with C 2 H 4 may lead to stable C 2 H 4 Al 4 Li 3 −species [II(b)]. Complexation leads to the electron transfer from Al 4 Li 3 −moiety to C 2 H 4 and development of aromatic character in the Al 4 ring. Our proposed compound C 2 H 4 Al 4 Li 3 −[II(b)] is very similar to the existing organic compound bicyclo[2.2.0]hex‐2‐ene [I(b)]. The complex C 2 H 4 Al 4 Li 3 −[II(b)] can be imagined as an analogue of bicyclo[2.2.0]hex‐2‐ene [I(b)] achieved by a simple replacement of C 4 H 4 in the later with π‐isoelectronic Al 4 Li 3 −moiety in the former. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010