A theoretical investigation on the nature of Cl⋯N and Br⋯N halogen bonds in FArX⋯NCY complexes (X=Cl, Br and Y=H, F, Cl, Br, OH, NH2, CH3 and CN)

2012 ◽  
Vol 997 ◽  
pp. 77-82 ◽  
Author(s):  
Mehdi D. Esrafili ◽  
Babak Ahmadi
Keyword(s):  
Theoretical Investigation ◽  
Halogen Bonds

Ligand-driven formation of halogen bonds involving Au(i) complexes

2018 ◽  
Vol 42 (13) ◽  
pp. 10529-10538 ◽  
Author(s):  
Ferdinand Groenewald ◽  
Jan Dillen ◽  
Catharine Esterhuysen
Keyword(s):  
Theoretical Investigation ◽  
Halogen Bond ◽  
Halogen Bonds

A theoretical investigation shows that the Au(i) centre in a variety of complexes can behave as a halogen bond acceptor.

Wheel and Axle Topology Driven Halogen Bonds for the Construction of Molecular Arrays in Hexacoordinated Sn(IV)Porphyrins: A Structural and Theoretical Investigation

2019 ◽  
Vol 19 (2) ◽  
pp. 942-951 ◽  
Author(s):  
Sushila ◽  
P. Venugopalan ◽  
Ramesh Kataria ◽  
Dipak Kumar Das ◽  
Arvind Chaudhary ◽  
...  
Keyword(s):  
Theoretical Investigation ◽  
Halogen Bonds

scholarly journals Cooperativity between hydrogen- and halogen bonds: the case of selenourea

2018 ◽  
Vol 20 (13) ◽  
pp. 8506-8514 ◽  
Author(s):  
Gianluca Ciancaleoni
Keyword(s):  
Theoretical Investigation ◽  
Halogen Bonds ◽  
Benzoate Anion

A combined experimental/theoretical investigation on the cooperativity between hydrogen- and halogen bonds is presented. In this study, it is shown that selenourea can interact at the same time with a benzoate anion and a polarized iodine, with the two interactions influencing and enhancing each other.

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