Fluorine substitution effects of halide anion receptors based on the combination of a distinct hydrogen bond and anion–π noncovalent interactions: a theoretical investigation

RSC Advances ◽  
2016 ◽  
Vol 6 (18) ◽  
pp. 14666-14677 ◽  
Author(s):  
Yan-Zhi Liu ◽  
Kun Yuan ◽  
Zhao Yuan ◽  
Yuan-Cheng Zhu ◽  
Ling-Ling Lv
Keyword(s):  
Hydrogen Bond ◽  
Theoretical Investigation ◽  
Noncovalent Interactions ◽  
Substitution Effects ◽  
Anion Receptors ◽  
Halide Anion ◽  
Fluorine Substitution ◽  
Geometric Criterion

Fluorine-substitution effects on anion–π interaction were deeply explored, and a more feasible and rational geometric criterion for halide-anion–π contact is established via three inequalities.

Gold setting the “gold standard” among transition metals as a hydrogen bond acceptor – a theoretical investigation

2017 ◽  
Vol 46 (15) ◽  
pp. 4960-4967 ◽  
Author(s):  
Ferdinand Groenewald ◽  
Helgard G. Raubenheimer ◽  
Jan Dillen ◽  
Catharine Esterhuysen
Keyword(s):  
Hydrogen Bond ◽  
Transition Metals ◽  
Theoretical Investigation ◽  
Gold Standard ◽  
Hydrogen Bond Acceptor ◽  
Hydrogen Bond Donors

MP2/aug-cc-pVTZ-pp calculations show that the Au(i) atom of dimethylaurate behaves as a hydrogen-bond acceptor to a range of hydrogen-bond donors.

Theoretical Investigation of Noncovalent Interactions between Low-Rank Coal and Water

2016 ◽  
Vol 30 (9) ◽  
pp. 7118-7124 ◽  
Author(s):  
Junhong Wu ◽  
Jianzhong Liu ◽  
Shao Yuan ◽  
Zhihua Wang ◽  
Junhu Zhou ◽  
...  
Keyword(s):  
Theoretical Investigation ◽  
Noncovalent Interactions ◽  
Low Rank ◽  
Low Rank Coal

Fluorine Substitution Effects on the Photodissociation Dynamics of Iodobenzene at 304 nm

1996 ◽  
Vol 100 (19) ◽  
pp. 7989-7996 ◽  
Author(s):  
Jennifer A. Griffiths ◽  
Kwang-Woo Jung ◽  
M. A. El-Sayed
Keyword(s):  
Substitution Effects ◽  
Fluorine Substitution

Linear Neutral Receptors for Anions: Synthesis, Structure and Applications

Synthesis ◽  
2018 ◽  
Vol 50 (23) ◽  
pp. 4555-4568 ◽  
Author(s):  
Janusz Jurczak ◽  
Agnieszka Cholewiak ◽  
Pawel Stepniak
Keyword(s):  
Hydrogen Bond ◽  
Steric Hindrance ◽  
Rational Design ◽  
Anion Receptors ◽  
Benzene Derivatives ◽  
Pyridine Derivatives ◽  
Naphthalene Derivatives ◽  
Pyrrole Derivatives ◽  
Anthracene Derivatives ◽  
Shed Light

A selective digest of linear anion receptors based on different aromatic skeletons is presented. Since the structures of anions vary from one to another, different strategies have been developed over recent years in order to bind anions efficiently and selectively. Rigidity, number of hydrogen bond donors, steric hindrance, and special preorganization of linear receptors are analyzed to shed light on the rational design of anion receptors.1 Introduction2 1,3- and 1,2-Benzene Derivatives3 1,3- and 5,7-Azulene Derivatives4 1,8-Naphthalene Derivatives5 1,8-Anthracene Derivatives6 2,6-Pyridine Derivatives7 2,5-Pyrrole Derivatives8 Diamidoarenodipyrrole Derivatives9 Carbazole Derivatives10 DITIPIRAM Derivatives11 Conclusion

scholarly journals Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and lipoxygenase inhibition (LOX) studies

CrystEngComm ◽  
2021 ◽  
Author(s):  
Muhammad Naeem Ahmed ◽  
Muneeba Arif ◽  
Hina Andleeb ◽  
Syed Wadood Ali Shah ◽  
Ifzan Arshad ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Surface Analysis ◽  
Schiff Bases ◽  
Theoretical Investigation ◽  
Noncovalent Interactions ◽  
Hirshfeld Surface ◽  
X Ray Diffraction ◽  
X Ray ◽  
Lipoxygenase Inhibition ◽  
Derivatives Of

Three hydrazide-based Schiff bases have been synthesized and characterized by IR, UV-vis and X-ray diffraction methods. A detail analysis of intermolecular interactions has been performed by Hirshfeld surface analysis and DFT calculations.

Sign in / Sign up

Export Citation Format

Share Document