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C−H Activation by AlCl Monomers: Characterization of HAl(Cl)CH 3 as the Product of the Photoactivated Reaction Between AlCl and CH 4 in a Solid Ar Matrix at 12 K
Author(s) -
Himmel HansJörg
Publication year - 2003
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.200300307
Subject(s) - chemistry , molecule , monomer , yield (engineering) , matrix isolation , adduct , hydride , exothermic reaction , activation energy , crystallography , photochemistry , organic chemistry , metal , polymer , materials science , metallurgy
In a solid Ar matrix at 12 K and upon photoactivation AlCl inserts into the C−H bond of CH 4 to give the new monomeric aluminium hydride HAl(Cl)CH 3 , which was identified and characterized with the aid of the IR spectra recorded for several isotopomers [Cl(H)Al 12 CH 3 , Cl(D)Al 12 CD 3 , and Cl(H)Al 13 CH 3 ], comparison with the known IR properties of related molecules and detailed quantum chemical calculations. Calculations yield a C s symmetric global energy minimum structure for this compound, and that the reaction is slightly exothermic (reaction energy of −43.2 kJ·mol −1 ). This work demonstrates impressively how reactive photoactivated AlCl molecules are. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)