Experimental and computational evaluation of the barrier to torsional rotation in a butadiyne-linked porphyrin dimer

The barrier to torsional rotation in a butadiyne-linked porphyrin dimer has been determined in solution using variable temperature UV-vis-NIR spectroscopy: ΔH = 5.27 ± 0.03 kJ mol−1, ΔS = 10.69 ± 0.14 J K−1 mol−1. The value of ΔH agrees well with theoretical predictions. Quantum chemical calculation...

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Main Authors: Peeks, M, Neuhaus, P, Anderson, H
格式: Journal article
语言:English
出版: Royal Society of Chemistry 2016