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Photoelectron Spectroscopy of the Aminomethoxide Anion, H2C(NH2)O–

TitlePhotoelectron Spectroscopy of the Aminomethoxide Anion, H2C(NH2)O–
Publication TypeJournal Article
Year of Publication2018
AuthorsOliveira, AM, Lehman, JH, Lineberger, WCarl
JournalThe Journal of Physical Chemistry A
Pagination4954 - 4962
Date Published2018-05
Keywordselectronic structure, spectroscopy

We report the photoelectron spectrum of the aminomethoxide anion (H2C(NH2)O). The electron affinity (EA) of the aminomethoxy radical is determined to be 1.944(1) eV. Transitions to the ground (X̃ 2A″) and first excited (Ã2 A′) electronic states of aminomethoxy are observed, with the term energy measured to be T0(Ã← X̃ ) = 0.085(1) eV. A long vibrational progression is observed for the transition to the ground X̃ 2A″ electronic state of aminomethoxy, primarily consisting of OCN bending and HNH wagging vibrations, leading to the assignment of these two fundamental vibrational frequencies of H2C(NH2)O· X̃ 2A″. The gas-phase acidity of aminomethanol is calculated at the G4 level of theory to be ΔacidHo0K= 374.0 kcal mol−1 , which, when combined with the experimental EA of aminomethoxy in a thermochemical cycle, provides a determination of the O−H bond dissociation energy, D0(H2C(NH2)O−H) as 106(2) kcal mol−1 . Comparisons of the EAs and T0(Ã← X̃ ) for the aminomethoxy, methoxy, ethoxy, and hydroxymethoxy radicals provides insight into how the substituent group affects the electronic structure of singly substituted alkoxy radicals.

Short TitleJ. Phys. Chem. A

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