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

Aragoni M. Carla | Zendy; Arca Massimiliano | Zendy; Demartin Francesco | Zendy; Devillanova Francesco A. | Zendy; Garau Alessandra | Zendy; Grimaldi Patrizio | Zendy; Isaia Francesco | Zendy; Lelj Francesco | Zendy; Lippolis Vito | Zendy; Verani Gaetano | Zendy

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

Author(s) -

Aragoni M. Carla,

Arca Massimiliano,

Demartin Francesco,

Devillanova Francesco A.,

Garau Alessandra,

Grimaldi Patrizio,

Isaia Francesco,

Lelj Francesco,

Lippolis Vito,

Verani Gaetano

Publication year - 2004

Publication title -

european journal of inorganic chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.667

H-Index - 136

eISSN - 1099-0682

pISSN - 1434-1948

DOI - 10.1002/ejic.200300762

Subject(s) - hypervalent molecule , chemistry , adduct , selenium , dimer , crystal structure , atom (system on chip) , chalcogen , ionic bonding , crystallography , medicinal chemistry , stereochemistry , ion , organic chemistry , reagent , computer science , embedded system

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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