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Spin−Orbit Coupling Effects on the Metal−Hydrogen Bond Homolysis of M(H)(CO) 3 (H-DAB) (M = Mn, Re; H-DAB = 1,4-Diaza-1,3-butadiene)

✍ Scribed by Daniel, Chantal; Guillaumont, Dominique; Ribbing, Carl; Minaev, Boris


Book ID
118262263
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
88 KB
Volume
103
Category
Article
ISSN
1089-5639

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Photodissociation and Electronic Spectro
✍ Isabelle Bruand-Cote; Chantal Daniel 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 311 KB

The photodissociation dynamics of [Re(H)(CO) 3 (H-dab)] (H-dab 1,4-diaza-1,3-butadiene) were studied by means of wavepacket propagations on CASSCF/MR-CCI potentials calculated for the electronic ground state and low-lying excited states as a function of two coordinates, q a and q b , that correspond