Photoelectron spectroscopic study of the oxyallyl diradical.

The photoelectron spectrum of the oxyallyl (OXA) radical anion has been measured. The radical anion has been generated in the reaction of the atomic oxygen radical anion (O(•-)) with acetone. Three low-lying electronic states of OXA have been observed in the spectrum.

The vibronic level structure of the cyclopentadienyl radical.

The 351.1 nm photoelectron spectrum of the cyclopentadienide ion has been measured, which reveals the vibronic structure of the X (2)E(1) (") state of the cyclopentadienyl radical. Equation-of-motion ionization potential coupled-cluster (EOMIP-CCSD) calculations have been performed to construct a diabatic model potential of the X (2)E(1) (") state, which takes into account linear Jahn-Teller effects along the e(2) (') normal coordinates as well as bilinear Jahn-Teller effects along the e(2) (') and ring-breathing a(1) (') coordinates.

Thermochemical studies of N-methylpyrazole and N-methylimidazole.

The 351.1 nm photoelectron spectra of the N-methyl-5-pyrazolide anion and the N-methyl-5-imidazolide anion are reported. The photoelectron spectra of both isomers display extended vibrational progressions in the X2A' ground states of the corresponding radicals that are well reproduced by Franck-Condon simulations, based on the results of B3LYP/6-311++G(d,p) calculations.

Structure of the vinyldiazomethyl anion and energetic comparison to the cyclic isomers.

The 351.1 nm photoelectron spectrum of the vinyldiazomethyl anion has been measured. The ion is generated through the reaction of the allyl anion with N(2)O in helium buffer gas in a flowing afterglow source.

Nonadiabatic effects in the photoelectron spectrum of the pyrazolide-d3 anion: three-state interactions in the pyrazolyl-d3 radical.

The 351.1 nm photoelectron spectrum of the 1-pyrazolide-d(3) anion has been measured. The photoelectron angular distributions indicate the presence of nearly degenerate electronic states of the 1-pyrazolyl-d(3) radical.

Thermochemical studies of pyrazolide.

The 351.1 nm photoelectron spectrum of 1-pyrazolide anion has been measured. The 1-pyrazolide ion is produced by hydroxide (HO(-)) deprotonation of pyrazole in a flowing afterglow ion source.

Photoelectron spectra and ion chemistry of imidazolide.

The 351.1 nm photoelectron spectrum of imidazolide anion has been measured. The electron affinity (EA) of the imidazolyl radical is determined to be 2.