Molecular orbital study on cationic states of triphenylene and 1,3,5-tris(diphenylamino)benzene as a design of charge-transfer organic ferromagnets

1995 ◽  
Vol 71 (1-3) ◽  
pp. 1829-1830 ◽  
Author(s):  
Kazunari Yoshizawa ◽  
Masashi Hatanaka ◽  
Kazuyoshi Tanaka ◽  
Tokio Yamabe
Keyword(s):  
Charge Transfer ◽  
Molecular Orbital ◽  
Molecular Orbital Study ◽  
Orbital Study ◽  
Organic Ferromagnets

scholarly journals On the Power of Geometry over Tetrel Bonds

Molecules ◽  
2018 ◽  
Vol 23 (11) ◽  
pp. 2742 ◽  
Author(s):  
Ephrath Solel ◽  
Sebastian Kozuch
Keyword(s):  
Charge Transfer ◽  
Bond Strength ◽  
Molecular Orbital ◽  
Noncovalent Interactions ◽  
Lewis Base ◽  
Binding Strength ◽  
Molecular Orbital Study ◽  
Orbital Study ◽  
Tetrel Bonds

Tetrel bonds are noncovalent interactions formed by tetrel atoms (as σ-hole carriers) with a Lewis base. Here, we present a computational and molecular orbital study on the effect of the geometry of the substituents around the tetrel atom on the σ-hole and on the binding strengths. We show that changing the angles between substituents can dramatically increase bond strength. In addition, our findings suggest that the established Sn > Ge > Si order of binding strength can be changed in sufficiently distorted molecules due to the enhancement of the charge transfer component, making silicon the strongest tetrel donor.

Sign in / Sign up

Export Citation Format

Share Document