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One-Pot Synthesis, Characterisation and Kinetic Stability of Novel Side-Bridged Pentaazamacrocylic Copper(II) Complexes

Version 7 2014-01-29, 07:44
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posted on 2014-01-29, 07:44 authored by Antoine BuchardAntoine Buchard

Article title:

One-Pot Synthesis, Characterisation and Kinetic Stability of Novel Side-Bridged Pentaazamacrocylic Copper(II) Complexes

Authors: Helen M. Betts, Antoine Buchard, Sofia I. Pascu, Paul D. Bonnitcha, and Jonathan R. Dilwortha

DFT study: Computed free enthalpies of formation of complexes 7-Benzyl-1,5,7,9,13-penta-aza-(1,13-ethano)-cyclopentadecane copper(II) dichloride and copper(II) cyclam dichloride

Protocol: uM06/6-31++G(d,p)/SCRF=(cpcm,solvent=methanol)/temperature= (337.85)

Content: Gaussian09 rev A.02 output files

 

 

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