The gas-phase electronic spectra of two resonantly stabilized radicals, 1-indanyl (C9H9) and 1-methyl-1-indanyl (C10H11), have been recorded in the visible region using a resonant two-color two-photon ionization (R2C2PI) scheme. The D1(A″) ← D0(A″) origin bands of 1-indanyl and 1-methyl-1-indanyl radicals are observed at 21157 and 20565 cm(–1), respectively. The excitation of a′ vibrations in the D1 state is observed up to ∼1500 cm(–1) above the origin band in both cases. The experimental assignments are in agreement with DFT and TD-DFT calculations. The R2C2PI spectrum recorded at m/z = 131 amu (C10H11) features three additional electronic transitions at 21433, 21369, and 17989 cm(–1), which are assigned to the origin bands of 7-methyl-1-indanyl, 2,3,4-trihydronaphthyl, and methyl-4-ethenylbenzyl radicals, respectively.

Download full-text PDF

Source
http://dx.doi.org/10.1021/acs.jpca.5b05844DOI Listing

Publication Analysis

Top Keywords

resonantly stabilized
8
radicals 1-indanyl
8
origin bands
8
electronic spectroscopy
4
spectroscopy resonantly
4
stabilized aromatic
4
radicals
4
aromatic radicals
4
1-indanyl methyl
4
methyl substituted
4

Similar Publications

We report a driven-dissipative mechanism to generate stationary entangled W states among strongly interacting quantum emitters placed within a cavity. Driving the ensemble into the highest energy state-whether coherently or incoherently-enables a subsequent cavity-enhanced decay into an entangled steady state consisting of a single deexcitation shared coherently among all emitters, i.e.

View Article and Find Full Text PDF

The microscopic pair structure of superfluids has profound consequences on their properties. Delocalized pairs are predicted to be less affected by static disorder than localized pairs. Ultracold gases allow tuning the pair size via interactions, where for resonant interaction superfluids show largest critical velocity, i.

View Article and Find Full Text PDF

Ba(Zr,Hf)S solid solutions are proposed for photovoltaic applications and a fast non-destructive measurement of the composition of these solutions and the identification of any possible secondary phases is a prerequisite for understanding their opto-electronic properties. Previously multi-wavelength Raman spectroscopy has been used for such purposes in other chalcogenide solution series. Here we calculate the non-resonant one-phonon Raman spectra of pure BaHfS and BaZrS, which show only subtle differences between them, since the most prominent modes are dominated by the sulfur atoms and the change in mass of going from Hf to Zr is balanced by a near equal and opposite change in the bonding.

View Article and Find Full Text PDF

Recent improvements to the comparison-based method of digital waveform generation increased the reproducibility of the waveforms so that the higher-order Mathieu stability zones can be accessed reliably. Digitally driven quadrupole mass filters access these zones using a fixed AC voltage and rectangular waveforms that are defined by a duty cycle. In this context, the duty cycle is the fraction of the waveform period where the waveform remains in the high state.

View Article and Find Full Text PDF

To understand the reactivity of resonantly stabilized radicals, often found in relevant concentrations in gaseous environments, it is important to determine their main reaction pathways. Here, it is investigated whether the fulvenallenyl radical (CH) reacts preferentially with closed-shell molecules or radicals. Electronic structure calculations on the CH potential energy surface accessed by the reactions of CH with methylacetylene (CHCCH) and allene (HCCCH) were combined with RRKM-ME calculations of temperature- and pressure-dependent rate constants using the automated EStokTP software suite and kinetic modeling to assess the reactivity of CH with closed-shell unsaturated hydrocarbons.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!