Intramolecular coordination of bidentate Lewis bases to a cofacial binuclear copper(II) complex

1986 ◽  
Vol 108 (23) ◽  
pp. 7430-7431 ◽  
Author(s):  
Andrew W. Maverick ◽  
Scott C. Buckingham ◽  
Qin. Yao ◽  
Julie R. Bradbury ◽  
George G. Stanley
ChemInform ◽  
1987 ◽  
Vol 18 (13) ◽  
Author(s):  
A. W. MAVERICK ◽  
S. C. BUCKINGHAM ◽  
Q. YAO ◽  
J. R. BRADBURY ◽  
G. G. STANLEY

2020 ◽  
Vol 65 (9) ◽  
pp. 1343-1350
Author(s):  
E. A. Malinina ◽  
V. V. Avdeeva ◽  
S. E. Korolenko ◽  
S. E. Nefedov ◽  
L. V. Goeva ◽  
...  

2007 ◽  
Vol 63 (a1) ◽  
pp. s166-s166
Author(s):  
M. Yu. Antipin ◽  
A. A. Yakovenko ◽  
J. H. Gallegos ◽  
T. V. Timofeeva
Keyword(s):  

Molecules ◽  
2019 ◽  
Vol 24 (23) ◽  
pp. 4399 ◽  
Author(s):  
Ibon Alkorta ◽  
José Elguero ◽  
Manuel Yáñez ◽  
Otilia Mó ◽  
M. Merced Montero-Campillo

Relativistic effects are found to be important for the estimation of NMR parameters in halogen-bonded complexes, mainly when they involve the heavier elements, iodine and astatine. A detailed study of 60 binary complexes formed between dihalogen molecules (XY with X, Y = F, Cl, Br, I and At) and four Lewis bases (NH3, H2O, PH3 and SH2) was carried out at the MP2/aug-cc-pVTZ/aug-cc-pVTZ-PP computational level to show the extent of these effects. The NMR parameters (shielding and nuclear quadrupolar coupling constants) were computed using the relativistic Hamiltonian ZORA and compared to the values obtained with a non-relativistic Hamiltonian. The results show a mixture of the importance of the relativistic corrections as both the size of the halogen atom and the proximity of this atom to the basic site of the Lewis base increase.


1988 ◽  
Vol 27 (21) ◽  
pp. 3710-3716 ◽  
Author(s):  
Azdine Benzekri ◽  
Patrick Dubourdeaux ◽  
Jean Marc Latour ◽  
Jean Laugier ◽  
Paul Rey

2021 ◽  
Vol 70 (6) ◽  
pp. 1118-1123
Author(s):  
I. S. Gabov ◽  
V. A. Kuznetsov ◽  
I. S. Puzyrev ◽  
A. V. Pestov
Keyword(s):  

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