Encoding of vinylidene isomerization in its anion photoelectron spectrum
نویسندگان
چکیده
منابع مشابه
Measurement and theoretical simulation of the HCCOÀ anion photoelectron spectrum
The HCCO radical is of great interest in combustion chemistry because it is a key intermediate in the oxidation of small hydrocarbons such as acetylene. Spectroscopic information has been limited to a handful of experiments, none of which has adequately characterized the Renner–Teller interaction of the two lowest-lying electronic states. In this paper, theory recently developed to describe the...
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Photoelectron spectra of the BN anion at 266 nm and 355 nm are reported. We observe transitions to the ground and Ž 3 . three lowest excited states of BN. The electron affinity of BN X P is 3.160"0.005 eV. Spectroscopic constants for the 2 q ̊ y1 y1 Ž . anion X S are r s1.284"0.005 A, v s1660"40 cm and v x s12"4 cm . Term energies T for the e e e e 0 Ž 1 q. Ž 1 . Ž 3 q. excited states of BN are ...
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to the linear P and S electronically excited states of neutral B3N, with all three states having a B–N–B–B structure. Weak signal observed at lower electron binding energies is tentatively assigned to two additional linear-to-linear transitions from the low-lying electronically excited P state of B3N 2 to the S and P states of neutral B3N. Based on these assignments the electron affinity of lin...
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The isomerization of acetylene to vinylidene is examined theoretically in full dimensionality ~six degrees of freedom!, using a new ab initio potential energy surface @S. Zou and J. M. Bowman, Chem. Phys. Lett. 368, 421 ~2003!#. Eigenfunctions and eigenvalues of the exact Hamiltonian, for zero total angular momentum, are obtained using a series of novel truncation/recoupling procedures that per...
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Assignments of electronic bands in the high resolution photoelectron spectrum of the VO2¯ anion obtained via slow electron velocity-map imaging are discussed in light of a recent theoretical paper that questioned them and proposed an alternate assignment.
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ژورنال
عنوان ژورنال: Science
سال: 2017
ISSN: 0036-8075,1095-9203
DOI: 10.1126/science.aao1905