The role of 1,2,4,5-tetrazine rings in π–π stacking interactions

CrystEngComm ◽  
2003 ◽  
Vol 5 (17) ◽  
pp. 82-86 ◽  
Author(s):  
Neil S. Oxtoby ◽  
Alexander J. Blake ◽  
Neil R. Champness ◽  
Claire Wilson
Keyword(s):  
Stacking Interactions ◽  
Π Stacking

Asymmetric Synthesis of Indolines through Intramolecular Shifting of Aromatic Sulfinyl Groups. Role of the π,π-Stacking Interactions in these Unusual SNAr Processes

2009 ◽  
Vol 131 (26) ◽  
pp. 9432-9441 ◽  
Author(s):  
José L. García Ruano ◽  
Alejandro Parra ◽  
Vanesa Marcos ◽  
Carlos del Pozo ◽  
Silvia Catalán ◽  
...  
Keyword(s):  
Asymmetric Synthesis ◽  
Stacking Interactions ◽  
Π Stacking

The Role of π−π Stacking Interactions in Square Planar Palladium Complexes. Combined Quantum Mechanics/Molecular Mechanics QM/MM Studies

2001 ◽  
Vol 20 (20) ◽  
pp. 4178-4184 ◽  
Author(s):  
Alessandra Magistrato ◽  
Paul S. Pregosin ◽  
Alberto Albinati ◽  
Ursula Rothlisberger
Keyword(s):  
Quantum Mechanics ◽  
Molecular Mechanics ◽  
Palladium Complexes ◽  
Stacking Interactions ◽  
Π Stacking ◽  
Square Planar

scholarly journals The role of π–π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds

2019 ◽  
Vol 75 (2) ◽  
pp. 178-188 ◽  
Author(s):  
Taraneh Hajiashrafi ◽  
Roghayeh Zekriazadeh ◽  
Keith J. Flanagan ◽  
Farnoush Kia ◽  
Antonio Bauzá ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Coordination Compounds ◽  
Spectroscopic Techniques ◽  
Stacking Interactions ◽  
X Ray Crystallography ◽  
Hydrogen Bonding Interactions ◽  
Π Stacking ◽  
Research Domain

The supramolecular chemistry of coordination compounds has become an important research domain of modern inorganic chemistry. Herein, six isostructural group IIB coordination compounds containing a 2-{[(2-methoxyphenyl)imino]methyl}phenol ligand, namely dichloridobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)zinc(II), [ZnCl2(C28H26N2O4)], 1, diiodidobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)zinc(II), [ZnI2(C28H26N2O4)], 2, dibromidobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)cadmium(II), [CdBr2(C28H26N2O4)], 3, diiodidobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)cadmium(II), [CdI2(C28H26N2O4)], 4, dichloridobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)mercury(II), [HgCl2(C28H26N2O4)], 5, and diiodidobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)mercury(II), [HgI2(C28H26N2O4)], 6, were synthesized and characterized by X-ray crystallography and spectroscopic techniques. All six compounds exhibit an infinite one-dimensional ladder in the solid state governed by the formation of hydrogen-bonding and π–π stacking interactions. The crystal structures of these compounds were studied using geometrical and Hirshfeld surface analyses. They have also been studied using M06-2X/def2-TZVP calculations and Bader's theory of `atoms in molecules'. The energies associated with the interactions, including the contribution of the different forces, have been evaluated. In general, the π–π stacking interactions are stronger than those reported for conventional π–π complexes, which is attributed to the influence of the metal coordination, which is stronger for Zn than either Cd or Hg. The results reported herein might be useful for understanding the solid-state architecture of metal-containing materials that contain M II X 2 subunits and aromatic organic ligands.

Gold-catalyzed domino cyclization to diverse polyheterocyclic frameworks: mechanism, origin of the cooperative hydrogen bond, and role of π-stacking interactions

2020 ◽  
Vol 10 (12) ◽  
pp. 4109-4118 ◽  
Author(s):  
Yunhe Li ◽  
Xiang Zhao
Keyword(s):  
Hydrogen Bond ◽  
Stacking Interactions ◽  
Detailed Mechanism ◽  
Cooperative Catalysis ◽  
Π Stacking ◽  
Cascade Catalysis

The detailed mechanism and origins of gold-catalyzed domino cyclization to diverse fused polyheterocyclic frameworks by cooperative catalysis and cascade catalysis were studied systematically.

Self-assembling tripeptide as organogelator: the role of aromatic π-stacking interactions in gel formation

2010 ◽  
Vol 22 (2) ◽  
pp. 95-102 ◽  
Author(s):  
Arpita Dutta ◽  
Dipankar Chattopadhyay ◽  
Animesh Pramanik
Keyword(s):  
Stacking Interactions ◽  
Gel Formation ◽  
Self Assembling ◽  
Π Stacking

The role of π–π stacking interactions in stabilising trigonal planar copper(I) in Cu(BF4)–2,9-dimethyl-1,10-phenanthroline–nitrile systems†

1999 ◽  
pp. 4261-4268 ◽  
Author(s):  
Alexander J. Blake ◽  
Peter Hubberstey ◽  
Wan-Sheung Li ◽  
Daniel J. Quinlan ◽  
Claire E. Russell ◽  
...  
Keyword(s):  
Stacking Interactions ◽  
Π Stacking

scholarly journals B-DNA structure and stability: the role of hydrogen bonding, π–π stacking interactions, twist-angle, and solvation

2014 ◽  
Vol 12 (26) ◽  
pp. 4691-4700 ◽  
Author(s):  
Jordi Poater ◽  
Marcel Swart ◽  
F. Matthias Bickelhaupt ◽  
Célia Fonseca Guerra
Keyword(s):  
Hydrogen Bonding ◽  
Quantum Chemical ◽  
Twist Angle ◽  
Dna Structure ◽  
Stacking Interactions ◽  
Chemical Analyses ◽  
Structure And Stability ◽  
Π Stacking ◽  
Insight Into

Insight into structure and stability of B-DNA is obtained through systematic quantum chemical analyses of the roles played by hydrogen bonding, π–π stacking, solvation, and twist-angle.

Unveiling the role of pyrylium frameworks on π-stacking interactions: a combined ab initio and experimental study

2021 ◽  
Author(s):  
Reyes Núñez-Franco ◽  
Gonzalo Jiménez-Osés ◽  
Jesús Jiménez-Barbero ◽  
Francisca Cabrera-Escribano ◽  
Antonio Franconetti
Keyword(s):  
Experimental Study ◽  
Solid State ◽  
Ab Initio ◽  
Stacking Interactions ◽  
Π Stacking

Pyrylium frameworks are excellent π–hole donors in solid state, gas and solution environments.

Additive Mediated Syn-Anti Conformational Tuning at Nucleation to Capture Elusive Polymorphs: Remarkable Role of Extended π-Stacking Interactions in Driving the Self-Assembly

2016 ◽  
Vol 16 (4) ◽  
pp. 2416-2428 ◽  
Author(s):  
Rupesh L. Gawade ◽  
Debamitra K. Chakravarty ◽  
Amol Kotmale ◽  
Ekta Sangtani ◽  
Pranaya V. Joshi ◽  
...  
Keyword(s):  
Self Assembly ◽  
The Self ◽  
Stacking Interactions ◽  
Π Stacking
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