TY - JOUR
T1 - 10-π-Electron arenes
T2 - À la carte: Structure and bonding of the [E-(CnHn)-E]n-6 (E = Ca, Sr, Ba; N = 6-8) complexes
AU - Mondal, Sukanta
AU - Cabellos, Jose Luis
AU - Pan, Sudip
AU - Osorio, Edison
AU - Torres-Vega, Juan Jose
AU - Tiznado, William
AU - Restrepo, Albeiro
AU - Merino, Gabriel
N1 - Publisher Copyright:
© 2016 the Owner Societies.
PY - 2016
Y1 - 2016
N2 - In this paper, we provide solid evidence to show that among an overwhelming structural diversity, alkaline earth metals (Ca, Sr, Ba) have the ability to form inverted sandwich compounds with C6H6, C7H7+, and C8H82+ of Dnh symmetry and general formula [E-(CnHn)-E]n-6 (n = 6-8) with planar 10-π-electron aromatic cores by virtue of transferring two electrons per metal atom to the ring. However, the origin of the orbital interaction between the metals and the carbon ring is quite different; while [E-(C6H6)-E] complexes are dominated by δ-interactions, both π- and δ-interactions are important in [E-(C7H7)-E]+ and [E-(C8H8)-E]2+ complexes.
AB - In this paper, we provide solid evidence to show that among an overwhelming structural diversity, alkaline earth metals (Ca, Sr, Ba) have the ability to form inverted sandwich compounds with C6H6, C7H7+, and C8H82+ of Dnh symmetry and general formula [E-(CnHn)-E]n-6 (n = 6-8) with planar 10-π-electron aromatic cores by virtue of transferring two electrons per metal atom to the ring. However, the origin of the orbital interaction between the metals and the carbon ring is quite different; while [E-(C6H6)-E] complexes are dominated by δ-interactions, both π- and δ-interactions are important in [E-(C7H7)-E]+ and [E-(C8H8)-E]2+ complexes.
UR - http://www.scopus.com/inward/record.url?scp=84966333740&partnerID=8YFLogxK
U2 - 10.1039/c6cp00671j
DO - 10.1039/c6cp00671j
M3 - Article
AN - SCOPUS:84966333740
SN - 1463-9076
VL - 18
SP - 11909
EP - 11918
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
IS - 17
ER -