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The loss of water from ionized heptanols in the gas phase

✍ Scribed by J. Haib; D. Stahl

Publisher
John Wiley and Sons
Year
1990
Tongue
English
Weight
577 KB
Volume
25
Category
Article
ISSN
1076-5174

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✦ Synopsis

Abstract

The mechanism of water loss from the 1‐beptanol molecular ion was studied by using a set of deuterium 1‐heptanols labelled at each position of the chain. The carbon‐bound hydrogen atom lost in the water comes mainly from C(4) (69%) but also from C(2) and C(3) (10 and 13%, respectively), and from C(5) and C(6) (5 and 4%, respectively). No measurable contribution by an H atom from C(7) and C(l) was found. The structure of the resulting [C~7~H~14~]^+·^ ion was studied by using the MIKE and CAD/MIKE techniques applied to unlabelled, and ^2^H and ^13^C labelled compounds and by ionization energy and appearance energy measurements.

The results clearly indicate that at the onset of the reaction, the [C~7~H~14~]^+·^ ion formed has the propylcyclobutane structure. At 70 eV electron energy, the [C~7~H~14~]^+·^ ion formed is indistinguishable from molecular ions of heptenes.

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