Nature of Intramolecular Transannular Interaction in Group 13 Atranes: A Theoretical Study

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Ankur Kanti Guha
Polyhedron ◽  
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Keyword(s):  

RSC Advances ◽  
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Vol 11 (33) ◽  
pp. 20070-20080
Author(s):  
Zheng-Feng Zhang ◽  
Ming-Der Su

On the basis of sophisticated theoretical models, the theoretical study demonstrated that the atomic radius of a group 13 element in a six-membered-ring NHC analogue plays an important role in determining its chemical reactivity.


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pp. 27746-27756 ◽  
Author(s):  
Wen-Jing Zhang ◽  
Guan-Jun Wang ◽  
Ping Zhang ◽  
Wenli Zou ◽  
Shu-Xian Hu

Through a theoretical study, the molecular structures of XPrO are found to be correlated with the Pr oxidation state; compounds with higher oxidation state have more important 4f involvement in the chemical bonding and thus the structure becomes more linear.


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pp. 106-115 ◽  
Author(s):  
Weiyi Li ◽  
Yajing Lyu ◽  
Huifang Zhang ◽  
Maoqin Zhu ◽  
Hanping Tang

The stronger aromaticity of the M-imidazolate ring and the small strain energy on the ligand backbone collectively drive the square-planar structure.


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