Structural competition between π⋯π interactions and halogen bonds: a crystallographic study

CrystEngComm ◽  
2013 ◽  
Vol 15 (4) ◽  
pp. 769-774 ◽  
Author(s):  
Baoming Ji ◽  
Weizhou Wang ◽  
Dongsheng Deng ◽  
Yu Zhang ◽  
Lei Cao ◽  
...  
Keyword(s):  
Halogen Bonds ◽  
Π Interactions ◽  
Crystallographic Study ◽  
Structural Competition

Structural Competition between Halogen Bonds and Lone-Pair⋅⋅⋅π Interactions in Solution

ChemPhysChem ◽  
2012 ◽  
Vol 13 (6) ◽  
pp. 1411-1414 ◽  
Author(s):  
Ning Ma ◽  
Yu Zhang ◽  
Baoming Ji ◽  
Anmin Tian ◽  
Weizhou Wang
Keyword(s):  
Lone Pair ◽  
Halogen Bonds ◽  
Π Interactions ◽  
Structural Competition

Controlling the molecular arrangement of racemates through weak interactions: the synergy between π-interactions and halogen bonds

2021 ◽  
Author(s):  
Carlos Romero-Nieto ◽  
A. de Cózar ◽  
Elzbieta Regulska ◽  
John B. Mullenix ◽  
Frank Rominger ◽  
...  
Keyword(s):  
Weak Interactions ◽  
Halogen Bonds ◽  
Π Interactions ◽  
Molecular Arrangement ◽  
Π Stacking

The combination of halogend bonds from PO and N-moieties with π-stacking leads to sort out R- and S-isomers into homoleptic, porous assemblies.

scholarly journals Noncovalent Interactions between 1,3,5-Trifluoro-2,4,6-triiodobenzene and a Series of 1,10-Phenanthroline Derivatives: A Combined Theoretical and Experimental Study

Crystals ◽  
2019 ◽  
Vol 9 (3) ◽  
pp. 140 ◽  
Author(s):  
Yu Zhang ◽  
Jian-Ge Wang ◽  
Weizhou Wang
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Quantum Chemical ◽  
Halogen Bond ◽  
Noncovalent Interactions ◽  
Stacking Interactions ◽  
Halogen Bonds ◽  
Π Stacking ◽  
Π Stacking Interaction ◽  
Structural Competition

How many strong C−I⋯N halogen bonds can one 1,3,5-trifluoro-2,4,6-triiodobenzene molecule form in a crystal structure? To answer this question, we investigated in detail the noncovalent interactions between 1,3,5-trifluoro-2,4,6-triiodobenzene and a series of 1,10-phenanthroline derivatives by employing a combined theoretical and experimental method. The results of the quantum chemical calculations and crystallographic experiments clearly show that there is a structural competition between a C−I⋯N halogen bond and π⋯π stacking interaction. For example, when there are much stronger π⋯π stacking interactions between two 1,10-phenanthroline derivative molecules or between two 1,3,5-trifluoro-2,4,6-triiodobenzene molecules in the crystal structures, then one 1,3,5-trifluoro-2,4,6-triiodobenzene molecule forms only one C−I⋯N halogen bond with one 1,10-phenanthroline derivative molecule. Another example is when π⋯π stacking interactions in the crystal structures are not much stronger, one 1,3,5-trifluoro-2,4,6-triiodobenzene molecule can form two C−I⋯N halogen bonds with two 1,10-phenanthroline derivative molecules.

Synthetic Ion Transporters that Work with Anion−π Interactions, Halogen Bonds, and Anion–Macrodipole Interactions

2013 ◽  
Vol 46 (12) ◽  
pp. 2791-2800 ◽  
Author(s):  
Andreas Vargas Jentzsch ◽  
Andreas Hennig ◽  
Jiri Mareda ◽  
Stefan Matile
Keyword(s):  
Ion Transporters ◽  
Halogen Bonds ◽  
Π Interactions

Mutual Influence between Halogen Bonds and Cation-π Interactions: A Theoretical Study

ChemPhysChem ◽  
2012 ◽  
Vol 13 (8) ◽  
pp. 2154-2161 ◽  
Author(s):  
Yunxiang Lu ◽  
Yingtao Liu ◽  
Haiying Li ◽  
Xiang Zhu ◽  
Honglai Liu ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Mutual Influence ◽  
Halogen Bonds ◽  
Π Interactions

scholarly journals Halogen bonds and π–π interactions in the crystal structure of 1,3,5-trifluoro-2,4,6-triiodobenzene–N,N-dimethylformamide (1/1), C9H7F3I3NO

2017 ◽  
Vol 232 (6) ◽  
pp. 937-938
Author(s):  
Limin Dang ◽  
Jiangnan Yang ◽  
Hui Liu ◽  
Weizhou Wang
Keyword(s):  
Crystal Structure ◽  
Halogen Bonds ◽  
Π Interactions

AbstractC9H7F3I3NO, monoclinic, P21/n (no. 14), a = 7.5581(4) Å, b = 20.9303(11) Å, c = 9.3548(5) Å, β = 92.208(5)°, V = 1478.78(13) Å3, Z = 4, Rgt(F) = 0.0336, wRref(F2) = 0.0610, T = 290 K.

Energetic Effects between Halogen Bonds and Anion-π or Lone Pair-π Interactions: A Theoretical Study

2012 ◽  
Vol 116 (10) ◽  
pp. 2591-2597 ◽  
Author(s):  
Yunxiang Lu ◽  
Yingtao Liu ◽  
Haiying Li ◽  
Xiang Zhu ◽  
Honglai Liu ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Lone Pair ◽  
Halogen Bonds ◽  
Π Interactions

scholarly journals Ditopic Ion Transport Systems: Anion-π Interactions and Halogen Bonds at Work

2011 ◽  
Vol 50 (49) ◽  
pp. 11675-11678 ◽  
Author(s):  
Andreas Vargas Jentzsch ◽  
Daniel Emery ◽  
Jiri Mareda ◽  
Pierangelo Metrangolo ◽  
Giuseppe Resnati ◽  
...  
Keyword(s):  
Ion Transport ◽  
Transport Systems ◽  
Halogen Bonds ◽  
Π Interactions

Structural Competition between Hydrogen Bonds and Halogen Bonds

2007 ◽  
Vol 129 (45) ◽  
pp. 13772-13773 ◽  
Author(s):  
Christer B. Aakeröy ◽  
Meg Fasulo ◽  
Nate Schultheiss ◽  
John Desper ◽  
Curtis Moore
Keyword(s):  
Hydrogen Bonds ◽  
Halogen Bonds ◽  
Structural Competition
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