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Study of the interaction between iron(0) and dinitrogen: “ab initio” calculations on the model compound Fe(PH3)4(N2)

✍ Scribed by M. Rosi; A. Sgamellotti; F. Tarantelli; C. Floriani


Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
444 KB
Volume
348
Category
Article
ISSN
0022-328X

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On the relative stability of side-on and
✍ Giovanni Ciullo; Marzio Rosi; Antonio Sgamellotti; Carlo Floriani 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 559 KB

Ab initio" calculations have been performed on the systems NiN2 and Ni( PHz),N, to investigate the relative stability ofendon and side-on coordination of dinitrogen to Ni". The results indicate that both the x-back-donation and the reduction in the o repulsion are important factors in the descriptio