A Theoretical Study of Free and Fe(CO)4-Complexed Borylenes (Boranediyls) and Heavier Congeners:  The Nature of the Iron−Group 13 Element Bonding

1999 ◽  
Vol 121 (51) ◽  
pp. 12113-12126 ◽  
Author(s):  
Charles L. B. Macdonald ◽  
Alan H. Cowley
Keyword(s):  
Theoretical Study ◽  
Iron Group ◽  
Group 13

Theoretical Study of the Reactivities of Neutral Six-Membered Carbene Analogues of the Group 13 Elements

2006 ◽  
Vol 25 (11) ◽  
pp. 2766-2773 ◽  
Author(s):  
Chi-Hui Chen ◽  
Meng-Lin Tsai ◽  
Ming-Der Su
Keyword(s):  
Theoretical Study ◽  
Group 13

scholarly journals Mechanistic insights into the insertion and addition reactions of group 13 analogues of the six-membered N-heterocyclic carbenes: interplay of electrophilicity, basicity, and aromaticity governing the reactivity

RSC Advances ◽  
2021 ◽  
Vol 11 (33) ◽  
pp. 20070-20080
Author(s):  
Zheng-Feng Zhang ◽  
Ming-Der Su
Keyword(s):  
Theoretical Study ◽  
Chemical Reactivity ◽  
Atomic Radius ◽  
Theoretical Models ◽  
Membered Ring ◽  
Heterocyclic Carbenes ◽  
Addition Reactions ◽  
Group 13

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.

The decisive role of 4f-covalency in the structural direction and oxidation state of XPrO compounds (X: group 13 to 17 elements)

2020 ◽  
Vol 22 (47) ◽  
pp. 27746-27756 ◽  
Author(s):  
Wen-Jing Zhang ◽  
Guan-Jun Wang ◽  
Ping Zhang ◽  
Wenli Zou ◽  
Shu-Xian Hu
Keyword(s):  
Oxidation State ◽  
Chemical Bonding ◽  
Theoretical Study ◽  
Decisive Role ◽  
Molecular Structures ◽  
Group 13 ◽  
Structural Direction

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.

Nature of transannular interaction in heavier group 13 (In, Tl) atranes: A theoretical study

Polyhedron ◽  
2017 ◽  
Vol 125 ◽  
pp. 113-121 ◽  
Author(s):  
Bitupon Borthakur ◽  
Ankur Kanti Guha ◽  
Ashwini K. Phukan
Keyword(s):  
Theoretical Study ◽  
Group 13 ◽  
Transannular Interaction

A theoretical study on the unusual square-planar structure of bis(imino)pyridine-ligated Group 13 complexes

2017 ◽  
Vol 46 (1) ◽  
pp. 106-115 ◽  
Author(s):  
Weiyi Li ◽  
Yajing Lyu ◽  
Huifang Zhang ◽  
Maoqin Zhu ◽  
Hanping Tang
Keyword(s):  
Strain Energy ◽  
Theoretical Study ◽  
Small Strain ◽  
Planar Structure ◽  
Group 13 ◽  
Square Planar

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

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

2011 ◽  
Vol 50 (4) ◽  
pp. 1361-1367 ◽  
Author(s):  
Ashwini K. Phukan ◽  
Ankur Kanti Guha
Keyword(s):  
Theoretical Study ◽  
Group 13 ◽  
Transannular Interaction

Alkynophilicity of Group 13 MX3 Salts: A Theoretical Study

2021 ◽  
Author(s):  
Shengwen Yang ◽  
Aurélien Alix ◽  
Christophe Bour ◽  
Vincent Gandon
Keyword(s):  
Theoretical Study ◽  
Group 13
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