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Energy-Minimized Structures and Calculated and Experimental Isomer Distributions in the Hexaaminecobalt(III) system [Co(trap)2]3+ (trap = 1,2,3-propanetriamine)

✍ Scribed by Peter Comba; Trevor W. Hambley; Luc Zipper

Publisher: John Wiley and Sons
Year: 1988
Tongue: German
Weight: 427 KB
Volume: 71
Category: Article
ISSN: 0018-019X
DOI: 10.1002/hlca.19880710805

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✦ Synopsis

There are reports on the computation of entropy effects including vibrational, translational, rotational and statistical factors [18-201. This approach is not adopted here, because it requires additional assumplions, agreement between calculated and experimental entropies tends to be poor, and because calculated and experimental entropy differences between various isomers of hexaaminecobalt(II1) systems are usually small in comparison to statistical entropy corrections and enthalpy differences.

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Energy-Minimized Structures and Calculated and Experimental Isomer distributions in the hexaamine-cobalt(III) system [Co(L)2]3+ with the chiral facially-coordinating triamine (l = butane-1,2,4-triamine)

✍ Peter Comba; Marcel Maeder; Luc Zipper 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 German ⚖ 568 KB

Butane-l,2,4-triamine (trab) is the smallest tridentate aliphatic unsnbstituted chiral triamine. With optically pure trab, there are three, with racemic trab five isomers of [Co(trab),13'. One of the five isomers is centrosymmetrical, the others are chiral. For one of the isomers, there are four pos