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Theoretical Predictions and Single-Crystal Neutron Diffraction and Inelastic Neutron Scattering Studies on the Reaction of Dihydrogen with the Dinuclear Dinitrogen Complex of Zirconium [P 2 N 2 ]Zr(μ-η 2 -N 2 )Zr[P 2 N 2 ], P 2 N 2 = PhP(CH 2 SiMe 2 NSiMe 2 CH 2 ) 2 PPh

✍ Scribed by Basch, Harold; Musaev, Djamaladdin G.; Morokuma, Keiji; Fryzuk, Michael D.; Love, Jason B.; Seidel, Wolfram W.; Albinati, Alberto; Koetzle, Thomas F.; Klooster, Wim T.; Mason, Sax A.; Eckert, Juergen

Book ID: 127037277
Publisher: American Chemical Society
Year: 1999
Tongue: English
Weight: 152 KB
Volume: 121
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja9824831

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Why Does the Reaction of the Dihydrogen Molecule with [P 2 N 2 ]Zr(μ-η 2 -N 2 )Zr[P 2 N 2 ] Produce [P 2 N 2 ]Zr(μ-η 2 -N 2 H)Zr[P 2 N 2 ](μ-H) but Not the Thermodynamically More Favorable [P 2 N 2 ]Zr(μ-NH) 2 Zr[P 2 N 2 ]? A Theoretical Study

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