The interplay between steric repulsions and metal-metal bonding in [Ru-2(mu-Cl)(3)(PR3)(6)](z+), R = H, Me, Et, z = 1, 2, 3: a hybrid QM/MM study

The interplay between steric repulsions and metal-metal bonding in [Ru-2(mu-Cl)(3)(PR3)(6)](z+), R = H, Me, Et, z = 1, 2, 3: a hybrid QM/MM study

The hybrid quantum/molecular mechanics methodology is used to examine the interplay between metal-metal bonding and steric effects in a series of isostructural redox-related ruthenium dimers. Potential energy surfaces for the various electronic states arising from (d6d6) (1 +), (d5d6) (2+) and (d5d5...

Detaylı Bibliyografya
Asıl Yazarlar:	Knottenbelt, S, McGrady, J, Heath, G
Materyal Türü:	Journal article
Dil:	English
Baskı/Yayın Bilgisi:	2003

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