Abstract
Rearrangement processes occurring in compounds (C 5H 4R) 2ZrCl 2 (R H, Me, nPr, iPr, nBu, tBu) and (C 5Me 5) 2ZrCl 2 under electron impact have been studied. The structure of an alkyl substituent in a cyclopentadienyl ligand has been shown to determine the dissociative ionization direction. The availability of a hydrogen atom at a substituent α-carbon atom alone gives the possibility of preceding the rearrangement process with the elimination of an HCl molecule from a molecular ion. The role of the process above increase with increasing carbon atom number in the alkyl substituent of the normal structure. The complete substituent of hydrogen atoms by methyl groups in a cyclopentadienyl ring reduces the probability of the rearrangement process with HCl elimination occurring due to steric hindrances. On the basis of the decomposition of the compound [C 5H 5C(D)Me 2] 2ZrCl 2, direct evidence of the participation of the hydrogen atoms at the substituent α-carbon atoms in the rearrangement processes has been obtained. The elimination of a DCl molecule has been demonstrated to be one of the directions of molecular ion decomposition. The subsequent abstraction of an HCl molecule is suggested to result from deutero-hydrogen exchange or the participation of methyl groups in the substituent.
Published Version
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