Electronic structure of diammine(ascorbato)platinum(II) and the trans influence on the ligand dissociation energy

1986 ◽  
Vol 25 (26) ◽  
pp. 4777-4779 ◽  
Author(s):  
Harold Basch ◽  
M. Krauss ◽  
W. J. Stevens
Keyword(s):  
Electronic Structure ◽  
Dissociation Energy ◽  
Ligand Dissociation ◽  
Trans Influence

scholarly journals Dissociation energy and electronic structure of the low valent lanthanide compound NdF+

2016 ◽  
Vol 116 (10) ◽  
pp. 791-794 ◽  
Author(s):  
Christopher South ◽  
George Schoendorff ◽  
Angela K. Wilson
Keyword(s):  
Electronic Structure ◽  
Dissociation Energy ◽  
Lanthanide Compound ◽  
Low Valent

Electronic structure of the first row hydrides III. Predissociation by rotation in the A 1 II state and the dissociation energy of BH

1961 ◽  
Vol 261 (1305) ◽  
pp. 237-245 ◽  
Keyword(s):  
Electronic Structure ◽  
Potential Energy ◽  
Ab Initio ◽  
Dissociation Energy ◽  
Spectroscopic Data ◽  
Potential Energy Curve ◽  
Theoretical Calculations ◽  
Zero Order ◽  
Energy Curve ◽  
Atomic Correlation

The potential energy curve of the A 1 II state of BH is determined by combining spectroscopic results with theoretical calculations. The dissociation energy D o (BH) is found to be 3·39 ± 0·04 eV. The calculation employing the intra-atomic correlation correction (but not the ab initio orbital calculation) leads to a potential energy curve with a maximum as well as a minimum in agreement with Herzberg & Mundie’s (1940) interpretation of the spectroscopic data. The abnormal shape of the curve may be attributed to the crossing of two zero-order curves arising from the limits B( s 2 p , 2 P 0 ) + H( s , 2 S ) and B( sp 2 , 2 D ) + H( s , 2 S ).

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