A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity

2015 ◽  
Vol 17 (38) ◽  
pp. 24598-24617 ◽  
Author(s):  
Jeffrey R. Reimers ◽  
Laura K. McKemmish ◽  
Ross H. McKenzie ◽  
Noel S. Hush

A way is found for describing general chemical reactions using diabatic multi-state and “twin-state” models. (Image adapted with permission from https://www.flickr.com/photos/cybaea/64638988/).

ChemInform ◽  
2010 ◽  
Vol 30 (8) ◽  
pp. no-no
Author(s):  
V. Ramamurthy ◽  
P. Lakshminarasimhan ◽  
Clare P. Grey ◽  
Linda J. Johnston

1982 ◽  
Vol 37 (3) ◽  
pp. 324-331 ◽  
Author(s):  
Heindirk torn Dieck ◽  
Ewald Kühl

Abstract Carbonyl complexes of chromium, molybdenum and tungsten of the type DAD M(CO)4 with DAD - diazadiene (R-N=CR′-CR′=NR) are shown by cyclic voltammetry to undergo electron transfer reactions to [DAD M(CO)4]+ and [DAD M(CO)4]-. The rate of subsequent chemical reactions with nucleophiles or by loss of ligands depend on the sol-vent, the metal and the ligands' electronic and steric properties. Chromium(+I) is more readily stabilized than Mo(+I) or W(-I) while the opposite is true for the stability of the anions formed. The dimerisation of a low-coordinate species DAD Mo(CO)3 from the reduction of DAD Mo(CO)3(CH3CN) is detected electrochemically. The stabilization of oxidation states +1 and -I is briefly discussed in view of the DAD ligand properties.


1998 ◽  
pp. 2411-2424 ◽  
Author(s):  
V. Ramamurthy ◽  
P. Lakshminarasimhan ◽  
Clare P. Grey ◽  
Linda J. Johnston

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