Publication: Insertion complexes of an organic molecule trapped in ion-pairs

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Title	Insertion complexes of an organic molecule trapped in ion-pairs
Authors/Editors*	Gurpaul Kochhar and Fedor Y. Naumkin
Where published*	New Journal of Chemistry
How published*	Journal
Year*	2010
Volume	34
Number
Pages	2932-2936
Publisher
Keywords
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Abstract	A group of novel molecule-insertion complexes M-C3H6-X (M-X = alkali-halide, -oxide, -hydroxide) is introduced and studied ab initio. Charge distributions indicate essentially neutral molecule trapped between opposite ions significantly bending and polarizing it. The system stabilities for different dissociation channels, and structure perturbations by electronic excitation, ionization, and electron attachment are discussed and interpreted. Features of interest include very large dipole moments, excitation-induced selective reactivity of X with C3H6, and high energy-storage capacity.