The reaction between 1,3 dimethyl -4- imidazoline -2-selone and ICN gave the adduct 2-ICN, whose crystal strucure 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 partial hypervalent selenium atom in 2-ICN and for the observed partial structural features.
First ICN Adduct with a Selenium Donor ( R=Se ): Is It an Ionic [RSeCN]+I- or a " T-Shaped " R(I)SeCN Hypervalent Compound?
GRIMALDI, Patrizio;
2004-01-01
Abstract
The reaction between 1,3 dimethyl -4- imidazoline -2-selone and ICN gave the adduct 2-ICN, whose crystal strucure 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 partial hypervalent selenium atom in 2-ICN and for the observed partial structural features.File in questo prodotto:
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