scholarly journals Competition of C(sp2)–X···O Halogen Bonding and Lone Pair···π Interactions: Cryospectroscopic Study of the Complexes of C2F3X (X = F, Cl, Br, and I) and Dimethyl Ether

2014 ◽  
Vol 119 (11) ◽  
pp. 2502-2516 ◽  
Author(s):  
Yannick Geboes ◽  
Nick Nagels ◽  
Balazs Pinter ◽  
Frank De Proft ◽  
Wouter A. Herrebout
Keyword(s):  
Dimethyl Ether ◽  
Lone Pair ◽  
Halogen Bonding ◽  
Π Interactions

scholarly journals Lone pair⋯π interactions involving carbonyl π-systems: Experimental and theoretical study of the complexes of COF2 and COFCl with dimethyl ether

2016 ◽  
Vol 476 ◽  
pp. 1-8 ◽  
Author(s):  
Yannick Geboes ◽  
Frank De Proft ◽  
Wouter A. Herrebout
Keyword(s):  
Dimethyl Ether ◽  
Theoretical Study ◽  
Lone Pair ◽  
Π Interactions

scholarly journals Lone pair···π interactions involving an aromatic π-system: Complexes of hexafluorobenzene with dimethyl ether and trimethylamine

2016 ◽  
Vol 647 ◽  
pp. 26-30 ◽  
Author(s):  
Yannick Geboes ◽  
Frank De Proft ◽  
Wouter A. Herrebout
Keyword(s):  
Dimethyl Ether ◽  
Lone Pair ◽  
Π Interactions

Interplay between Halogen Bonding and Lone Pair-π Interactions: A Computational and Crystal Packing Study

ChemPlusChem ◽  
2014 ◽  
Vol 79 (4) ◽  
pp. 552-558 ◽  
Author(s):  
Gilles Berger ◽  
Jalal Soubhye ◽  
Arie van der Lee ◽  
Christophe Vande Velde ◽  
René Wintjens ◽  
...  
Keyword(s):  
Crystal Packing ◽  
Lone Pair ◽  
Halogen Bonding ◽  
Π Interactions

Enhancement of spin-crossover cooperativity mediated by lone pair–π interactions and halogen bonding

2014 ◽  
Vol 50 (8) ◽  
pp. 1003-1005 ◽  
Author(s):  
Nassim Nassirinia ◽  
Saeid Amani ◽  
Simon J. Teat ◽  
Olivier Roubeau ◽  
Patrick Gamez
Keyword(s):  
Spin Crossover ◽  
Lone Pair ◽  
Halogen Bonding ◽  
Π Interactions

scholarly journals Adenine as a Halogen Bond Acceptor: A Combined Experimental and DFT Study

Crystals ◽  
2019 ◽  
Vol 9 (4) ◽  
pp. 224 ◽  
Author(s):  
Yannick Roselló ◽  
Mónica Benito ◽  
Elies Molins ◽  
Miquel Barceló-Oliver ◽  
Antonio Frontera
Keyword(s):  
Density Functional ◽  
Halogen Bond ◽  
Lone Pair ◽  
Halogen Bonding ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Adenine Ring ◽  
Bonding Interaction ◽  
Donor Ability ◽  
Adenine Derivative

In this work, we report the cocrystallization of N9-ethyladenine with 1,2,4,5-tetrafluoro-3,6-diiodobenzene (TFDIB), a classical XB donor. As far as our knowledge extends, this is the first cocrystal reported to date where an adenine derivative acts as a halogen bond acceptor. In the solid state, each adenine ring forms two centrosymmetric H-bonded dimers: one using N1···HA6–N6 and the other N7···HB6–N6. Therefore, only N3 is available as a halogen bond acceptor that, indeed, establishes an N···I halogen bonding interaction with TFDIB. The H-bonded dimers and halogen bonds have been investigated via DFT (Density Functional Theory) calculations and the Bader’s Quantum Theory of Atoms In Molecules (QTAIM) method at the B3LYP/6-311+G* level of theory. The influence of H-bonding interactions on the lone pair donor ability of N3 has also been analyzed using the molecular electrostatic potential (MEP) surface calculations.

2-Pyridylcyanoxime-NiIIClusters with Unusual Topologies: Lone-Pair-π Interactions and Magnetic Properties

2014 ◽  
Vol 2014 (31) ◽  
pp. 5443-5450 ◽  
Author(s):  
Albert Escuer ◽  
Jordi Esteban ◽  
Júlia Mayans ◽  
Mercè Font-Bardia
Keyword(s):  
Magnetic Properties ◽  
Lone Pair ◽  
Π Interactions

scholarly journals Crystal structure of poly[[[μ4-5-(9H-carbazol-9-yl)isophthalato][μ3-5-(9H-carbazol-9-yl)isophthalato]bis(dimethylformamide)(methanol)dizinc] dimethylformamide monosolvate]

2015 ◽  
Vol 71 (8) ◽  
pp. m152-m153 ◽  
Author(s):  
Liubov M. Lifshits ◽  
Charles Campana ◽  
Jeremy K. Klosterman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Solvent Molecule ◽  
Lone Pair ◽  
Π Interactions ◽  
Carboxylate Groups ◽  
Medium Strength ◽  
Secondary Building Units ◽  
Coordination Spheres

The structure of the polymeric title compound, {[Zn2(C20H11NO4)2(C3H7NO)2(CH3OH)]·C3H7NO}n, comprises carbazolylisophthalate moieties connecting dimetallic tetracarboxylate zinc secondary building units (SBUs) parallel to [100] and [010], leading to a layer-like arrangement parallel to (001). Each SBU consists of two Zn atoms in slightly distorted tetrahedral and octahedral coordination environments [Zn...Zn = 3.5953 (6) Å]. Three carboxylate groups bridge the two Zn atoms in a μ2-O:O′ mode, whereas the fourth coordinates through a single carboxylate O atom (μ1-O). The O atoms of two dimethylformamide (DMF) and one methanol molecule complete the Zn coordination spheres. The methanol ligand interacts with the noncoordinating DMF moleculeviaan O—H...O hydrogen bond of medium strength. Carbazoles between the layers interdigitate through weak C—H....π interactions to form a laminar solid stacked along [010]. Two kinds of C—H...π interactions are present, both with a distance of 2.64 Å, between the H atoms and the centroids, and a third C—H...π interaction, where the aromatic H atom is located above the carbazole N-atom lone pair (H...N = 2.89 Å). Several C—H...O interactions occur between the coordinating DMF molecule, the DMF solvent molecule, and ligating carboxylate O atoms.

Modulation of Metallophilic and π–π Interactions in Platinum Cyclometalated Luminophores with Halogen Bonding

2020 ◽  
Author(s):  
Vasily Sivchik ◽  
Aleksandr Kochetov ◽  
Toni Eskelinen ◽  
Kristina S. Kisel ◽  
Anastasia I. Solomatina ◽  
...  
Keyword(s):  
Halogen Bonding ◽  
Π Interactions

Reversible stimulus-responsive coordination polymers mainly involving conversion between the lone-pair–π and cation–π interactions

2020 ◽  
Vol 73 (5) ◽  
pp. 854-866
Author(s):  
Qing-Qing Yan ◽  
Bin Li ◽  
Wei-Peng Jiang ◽  
Ying-Bo Xu ◽  
Zhi-Qiang Xu ◽  
...  
Keyword(s):  
Coordination Polymers ◽  
Lone Pair ◽  
Π Interactions ◽  
Stimulus Responsive
Sign in / Sign up

Export Citation Format

Share Document