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Studies of substituent effects on the electronic structure and related properties of [Ru(phen)3]2+ with DFT method

✍ Scribed by K.C Zheng; J.P Wang; X.W Liu; Y Shen; F.C Yun

Book ID
114141743
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
297 KB
Volume
577
Category
Article
ISSN
0166-1280

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## Abstract Studies on the complex [Ru(phen)~3~]^2+^ (phen = 1,10‐phenanthroline) and its derivatives with 4,7‐di‐substitution on one ligand(phen) were carried out using the DFT method at the B3LYP/LanL2DZ level of theory. The trends in the substituent effects caused by the electron‐pushing group (