Gas-phase ion-molecule reactions of C-60 and theoretical studies of [C60C2H3O](+) adduct cations
Data(s) |
1997
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Resumo |
Gas-phase ion-molecule reactions of buckminsterfullerene (C-60) with the acetyl cation CH3-C-+=O (m/z 43) and formylmethyl cation (CH2)-C-+-CH=O (m/z 43, or oxiranyl cation), generated from the self-chemical ionization of acetone and vinyl acetate, respectively, were studied in the ion source of a mass spectrometer. Adduct cations [C60C2H3O](+) (m/z 763) and protonated C-60, [C60H](+) (m/z 721), were observed as the major products. AM1 semiempirical molecular orbital calculations on the possible structures, stabilities and charge locations of the isomers of the adducts [C60C2H3O](+) were carried out at the restricted Hartree-Fock level. The results indicated that the sigma-addition product [C-60-COCH3](+) is the most stable adduct for the reaction of C-60 with CH3-C-+=O rather than that resulting from the [2+2] cycloaddition. The [2+3] cycloadduct and the sigma-adduct [C60CH2CHO](+) might be the most possible coexisting products for the reactions of C-60 with (CH2)-C-+-CH=O or oxiranyl cation. Other [C60C2H3O](+) isomers are also discussed. (C) 1997 by John Wiley & Sons, Ltd. |
Identificador | |
Idioma(s) |
英语 |
Fonte |
Guo XH;Liu ZY;Xu WG;Liu SY.Gas-phase ion-molecule reactions of C-60 and theoretical studies of [C60C2H3O](+) adduct cations,JOURNAL OF MASS SPECTROMETRY,1997,32(2):241-246 |
Palavras-Chave | #ISOMERIC <C2H3O>+ IONS #BUCKMINSTERFULLERENE C-60 #ACETYL CATION #MASS-SPECTROMETRY #DERIVATIZATION #DERIVATIVES #FULLERENES #ACETONE #C2H3O+ #ACID |
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期刊论文 |