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BIBTEX RIS

First ICN Adduct with a Selenium Donor (R = Se): Is It an Ionic [RSeCN] + I − or a “T‐Shaped” R(I)SeCN Hypervalent Compound?

2004; Wiley; Volume: 2004; Issue: 11 Linguagem: Inglês

10.1002/ejic.200300762

ISSN

1099-0682

Autores

M. Carla Aragoni, Massimiliano Arca, Francesco Demartin, F.A. Devillanova, Alessandra Garau, P. Grimaldi, Francesco Isaia, Francesco Lelj, Vito Lippolis, G. Verani,

Tópico(s)

Inorganic Chemistry and Materials

Resumo

Abstract The reaction between 1,3‐dimethyl‐4‐imidazoline‐2‐selone ( 2 ) and ICN gave the adduct 2· ICN, whose crystal structure features dimers made up of two [ 2· CN] + and two I − which strongly interact. Hybrid DFT calculations on the adduct 2· ICN, on the cation [ 2· CN] + , and on the dimer ( 2· ICN) 2 account for a partially hypervalent selenium atom in 2· ICN and for the observed structural features. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)

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