Analysis of fluorene and 9,9-dialkylfluorenes by electrospray droplet impact (EDI)/SIMS

作者：Takaishi Rio; Usmanov Dilshadbek Tursunbayevich; Ninomiya Satoshi; Sakai Yuji; Hiraoka Kenzo^*; Wada Hiroshi; Matsumura Masaya; Sanada Morimura Sachiyo; Nonami Hiroshi; Yamabe Shinichi^*

来源：International Journal of Mass Spectrometry, 2017, 419: 29-36.

DOI：10.1016/j.ijms.2017.05.006

• Fluorenes
• Electrospray droplet impact/secondary ion mass spectrometry (EDI/SIMS)
• DFT calculations

Fluorene and 9,9-dialkyl fluorenes were examined by electrospray droplet impact/secondary ion mass spectrometry (EDI/SIMS). From the major peaks: M+center dot, [M + H](+), [M+, and [M - R - (R - H)](+) detected by EDI/SIMS, information on the molecular masses (M) and the side chains (R) could be obtainedfor dioctyl-, dihexyltri-, dioctyltri- and dihexylheptafluorenes. Despite the different alkyl substituents, dihexyltrifluorene (C75H98) and dioctyltrifluorene (C87H122) gave similar fragment-ion distribution patterns with the common peak values at m/z 339 and 517 in the two envelopes. This suggests that the fragmentation paths are similar for these two compounds. The ions with m/z 339 and 517 were tentatively assigned asC(27)H(15)(+) and C41H25+ in which all the alkyl substituents (R) were eliminated. Fragmentation paths of protonated fluorenes were examined by DFT calculations.The reaction paths of the elimination of side two alkyl chains to give fluorenyl cations as the final products were postulated for 9,9-dimethylfluorene and 9,9-dioctylfluorene.

• 出版日期2017-8