| DUTTA, Arpan, Atish Dipankar JANA, Sumana GANGOPADHYAY, Kalyan Kumar DAS, Jaromír MAREK, Radek MAREK, Jiří BRUS a Mahammad ALI. Unprecedented pi...pi interaction between an aromatic ring and a pseudo-aromatic ring formed through intramolecular H-bonding in a bidentate Schiff base ligand: crystal structure and DFT calculations. Physical Chemistry Chemical Physics. Royal Society of Chemistry, 2011, roč. 13, č. 35, s. 15845-15853. ISSN 1463-9076. doi:10.1039/c1cp21047e. |
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@article{947543,
author = {Dutta, Arpan and Jana, Atish Dipankar and Gangopadhyay, Sumana and Das, Kalyan Kumar and Marek, Jaromír and Marek, Radek and Brus, Jiří and Ali, Mahammad},
article_number = {35},
doi = {http://dx.doi.org/10.1039/c1cp21047e},
keywords = {Pi-pi interaction; X-ray diffraction; Solid-state NMR; Molecular orbitals},
language = {eng},
issn = {1463-9076},
journal = {Physical Chemistry Chemical Physics},
title = {Unprecedented pi...pi interaction between an aromatic ring and a pseudo-aromatic ring formed through intramolecular H-bonding in a bidentate Schiff base ligand: crystal structure and DFT calculations},
url = {http://dx.doi.org/10.1039/c1cp21047e},
volume = {13},
year = {2011}
}
TY - JOUR
ID - 947543
AU - Dutta, Arpan - Jana, Atish Dipankar - Gangopadhyay, Sumana - Das, Kalyan Kumar - Marek, Jaromír - Marek, Radek - Brus, Jiří - Ali, Mahammad
PY - 2011
TI - Unprecedented pi...pi interaction between an aromatic ring and a pseudo-aromatic ring formed through intramolecular H-bonding in a bidentate Schiff base ligand: crystal structure and DFT calculations
JF - Physical Chemistry Chemical Physics
VL - 13
IS - 35
SP - 15845-15853
EP - 15845-15853
PB - Royal Society of Chemistry
SN - 14639076
KW - Pi-pi interaction
KW - X-ray diffraction
KW - Solid-state NMR
KW - Molecular orbitals
UR - http://dx.doi.org/10.1039/c1cp21047e
L2 - http://dx.doi.org/10.1039/c1cp21047e
N2 - A combination of a single crystal X-ray diffraction study and density functional theory calculations has been applied to a bidentate Schiff base compound to elucidate different cooperative non-covalent interactions involved in the stabilization of the keto form over the enol one in the solid state. The single crystal X-ray structure reveals a remarkable supramolecular assembly of the keto form through a cyclic hydrogen bonded dimeric motif. The most interesting feature in the supramolecular assembly is the formation of a ‘dimer of dimer’ motif by pi-pi, CH-pi and N-O/O-O interactions in which the pi-pi interaction involving the aromatic phenyl ring and the intramolecularly hydrogen bonded pseudo-aromatic ring of the keto form lying just above or below the phenyl ring of the other dimer seems to be unprecedented.
ER -
DUTTA, Arpan, Atish Dipankar JANA, Sumana GANGOPADHYAY, Kalyan Kumar DAS, Jaromír MAREK, Radek MAREK, Jiří BRUS a Mahammad ALI. Unprecedented pi...pi interaction between an aromatic ring and a pseudo-aromatic ring formed through intramolecular H-bonding in a bidentate Schiff base ligand: crystal structure and DFT calculations. \textit{Physical Chemistry Chemical Physics}. Royal Society of Chemistry, 2011, roč.~13, č.~35, s.~15845-15853. ISSN~1463-9076. doi:10.1039/c1cp21047e.
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