Photoelectron Photoion Coincidence Spectroscopy of Biradicals

I Fischer, P Hemberger - ChemPhysChem, 2023 - Wiley Online Library
The electronic structure of biradicals is characterized by the presence of two unpaired
electrons in degenerate or near‐degenerate molecular orbitals. In particular, some of the …

Metalloradical activation of in situ-generated α-alkynyldiazomethanes for asymmetric radical cyclopropanation of alkenes

J Ke, WCC Lee, X Wang, Y Wang, X Wen… - Journal of the …, 2022 - ACS Publications
α-Alkynyldiazomethanes, generated in situ from the corresponding sulfonyl hydrazones in
the presence of a base, can serve as effective metalloradicophiles in Co (II)-based …

Valence shell threshold photoelectron spectroscopy of C 3 H x (x= 0–3)

GA Garcia, B Gans, J Krüger, F Holzmeier… - Physical Chemistry …, 2018 - pubs.rsc.org
We present the photoelectron spectra of C3Hx (x= 0–3) formed in a microwave discharge
flow-tube reactor by consecutive H abstractions from C3H4 (C3Hx+ F→ C3Hx− 1+ HF (x= 1 …

Comprehensive Quantum Chemical Characterization of the Astrochemically Relevant HCnH Chain Family: An Attempt to Aid Astronomical Observations

I Bâldea - Advanced Theory and Simulations, 2022 - Wiley Online Library
In this paper, the results of a comprehensive theoretical investigation of neutral HCnH0 and
charged HCnH±chains are reported using state‐of‐the‐art compound model chemistries …

Pentadiynylidene and Its Methyl-Substituted Derivates: Threshold Photoelectron Spectroscopy of R1-C5-R2 Triplet Carbon Chains

E Reusch, D Kaiser, D Schleier… - The Journal of …, 2019 - ACS Publications
Mass-selective threshold photoelectron spectroscopy in the gas phase was employed to
characterize the dialkynyl triplet carbenes pentadiynylidene (HC5H) …

Products of the propargyl self-reaction at high temperatures investigated by IR/UV ion dip spectroscopy

P Constantinidis, F Hirsch, I Fischer… - The Journal of …, 2017 - ACS Publications
The propargyl radical is considered to be of key importance in the formation of the first
aromatic ring in combustion processes. Here we study the bimolecular (self-) reactions of …

Chemical bonding in representative astrophysically relevant neutral, cation, and anion HC n H chains

I Bâldea - Chinese Physics B, 2022 - iopscience.iop.org
Most existing studies assign a polyynic and cumulenic character of chemical bonding in
carbon-based chains relying on values of the bond lengths. Building on our recent work, in …

Electronic states of the quasilinear molecule propargylene (HCCCH) from negative ion photoelectron spectroscopy

DL Osborn, KM Vogelhuber, SW Wren… - Journal of the …, 2014 - ACS Publications
We use gas-phase negative ion photoelectron spectroscopy to study the quasilinear
carbene propargylene, HCCCH, and its isotopologue DCCCD. Photodetachment from …

Photodissociation dynamics of propargylene, HCCCH

J Giegerich, J Petersen, R Mitrić… - Physical Chemistry …, 2014 - pubs.rsc.org
We report a joint theoretical and experimental study on the photodissociation of the C3H2
isomer propargylene, HCCCH, combining velocity map imaging with nonadiabatic trajectory …

A photoionization study of 2-propyl and t-butyl radicals

F Holzmeier, MP Herbert, I Fischer, M Steglich… - Journal of Analytical and …, 2017 - Elsevier
We investigate the photoionization of the alkyl radicals 2-propyl (C 3 H 7), termed also
isopropyl, and t-butyl (C 4 H 9). Both species were generated by flash pyrolysis from suitable …