Spectrum Of Radical Research Articles

Molten Uranium Breeder Reactor (MUBR) and Its Development Steps

Background The Molten Uranium Breeder Reactor (MUBR) is a radical new mixed-energy spectrum breed and burn reactor concept. The MUBR is fueled with molten uranium metal fuel in large fuel tubes instead of thin fuel rods, and is cooled by circulating the molten fuel through a heat exchanger. The purpose of this research is to find MUBR configurations with a SCALE (RSICC request/license 203869) burnup at least 10 times greater than the initial fissile content. Methods A proprietary computer program uses parameters to generate MCNP (RSICC request/license 176034) or SCALE input files and initiate MCNP or SCALE burn simulations and other analysis. This allows relatively fast comparison of different parameters to optimize the configuration. Results MUBR configurations have been found which have SCALE burn simulations through 120 years of fuel life with a burnup of 35% of the initial fuel mass when the initial fuel was Low Enriched Uranium (LEU) (3% U-235). Conclusions These results suggest that if it can be constructed and operated reliably for a long time, the MUBR would be a true breed and burn reactor. Compared to Light Water Reactors (LWR) this would provide many advantages for the nuclear industry and the world such as: reactor operation without shutdowns for refueling or fuel manipulation, no need for special fuel, ten times as much energy per ton of fuel, one tenth as much Used Nuclear Fuel (UNF) per megawatt hour of electricity, no UNF storage required every two years, increased energy security, and reduced nuclear proliferation risk. While development of the MUBR concept from a concept to a prototype reactor will be costly, the advantages suggest that the concept merits further study.

Electronic Spectrum of α-Hydrofulvenyl Radical (C6H7), and a Simple and Accurate Recipe for Predicting Adiabatic Ionization Energies of Resonance-Stabilized Hydrocarbon Radicals.

Using a combination of resonant two-photon two-color ionization (R2C2PI) and laser-induced fluorescence/dispersed fluorescence spectroscopy, we have examined the 2A″ ← 2A″ transition of the resonance-stabilized α-hydrofulvenyl radical, produced from methylcyclopentadiene dimer in a jet-cooled discharge. Like the related 1,4-pentadienyl and cyclohexadienyl radicals, the α-hydrofulvenyl Ã-state lifetime is orders of magnitude shorter than the predicted f-value implies, indicative of rapid nonradiative decay. The transition is fully allowed by symmetry but considerably weakened by transition moment interference. Intensity borrowing among a' modes brings about static (i.e., Condon) and vibronic (i.e., Herzberg-Teller) moments of similar size, the result being a spectrum substantially less origin-dominated than is usually observed for extensively delocalized radicals. Twenty -state modes and twelve -state modes are identified with high confidence and assignments for several others are suggested. In addition, from a series of two-color appearance potential scans with the -state zero-point level serving as an intermediate, we obtain a field-free adiabatic ionization energy (AIE) of 7.012(1) eV. For a set of 21 resonance-stabilized radicals bearing 5 to 11 carbon atoms, it emerges that the field-free AIE obtained by R2C2PI methods under jet-cooled conditions lies very close to the average of B3LYP/6-311G++(d,p) (with harmonic zero-point energy) and CBS-QB3 0 K calculations, with a mean absolute deviation of only 0.010(7) eV (approximately 1 kJ/mol). On average, this represents a nearly 10-fold improvement in accuracy over CBS-QB3 predictions for the same set of radicals.

Exploring photoionization of gas-phase free radicals with a widely tunable VUV laser at moderate spectral resolution

The VUv Laser for Considering Astrophysical and Isolated Molecules (VULCAIMs) setup [Harper et al., Phys. Chem. Chem. Phys. 24, 2777 (2022)] integrates a narrow-bandwidth tunable vacuum ultraviolet (VUV) and extreme ultraviolet (XUV) nanosecond-pulsed laser system (6–16 eV) and a photoelectron spectrometer, designed for recording high-spectral-resolution (rotationally resolved) photoelectron spectra of gas-phase free radicals. This approach usually needs beforehand medium-resolution synchrotron data to guide the selection of specific spectral regions to be investigated at higher resolution with the VULCAIM setup. We present an upgraded version of the VUV laser system integrating an optical parametric oscillator for continuously scanned medium-resolution measurements (<3 cm−1) across the whole VUV and XUV spectral ranges. This innovation enables broader coverage without the need to access synchrotron facilities. Furthermore, rapid mode switching allows for maintaining optimized radical production conditions from mid-resolution to high-resolution operation mode, enhancing spectroscopy capabilities significantly. The new capabilities of the VULCAIM setup are illustrated on two showcases of photoionization studies: the nitric oxide (NO) stable molecular species and the benzyl (C6H5CH2) free radical produced by pyrolysis.

Manifestation of the normal intensity distribution law (NIDL) in the rovibrational emission spectrum of hydroxyl radical

The latest experimental [Noll et al. Atmos. Chem. Phys. 20, 5269 (2020)] and theoretical [Brooke et al. J. Quant. Spectr. Rad. Transfer 168, 142 (2016)] data on the OH emission intensities are analysed with use of the NIDL. It is found that the calculated intensities of the Δ v > 6 transitions should not be trusted. The analysis of the OH data revealed that the NIDL theory is not applicable to the satellite bands. The effect of small reduced mass previously discovered in H 2 [Ushakov et al. J. Mol. Spectrosc. 399, 111863 (2024)], causing the NIDL straight-line slope to be larger than the one associated with the repulsive branch of the potential, is demonstrated in OH, and the same should be true of all the diatomic hydrides. We performed ab initio calculations of the OH repulsive branch and compared it with the one of Brooke et al. and the other due to Varandas and Voronin [Chem. Phys. 194, 91 (1995)]. We found that the ab initio PEF closely follows the Varandas-Voronin potential in the repulsive region important for calculating the overtone intensities [Medvedev, J. Chem. Phys. 137, 174307 (2012)].

The x-ray absorption spectrum of the tert-butyl radical: An experimental and computational investigation.

We report the x-ray absorption spectrum (XAS) of the tert-butyl radical, C4H9. The radical was generated pyrolytically from azo-tert-butane, and the XAS of the pure radical was obtained by subtraction of spectra recorded at different temperatures. The bands in the XAS were assigned by abinitio calculations that are in very good agreement with the experimental data. The lowest energy signal in the XAS is assigned to the C1s electron transition from the central carbon atom to the singly occupied molecular orbital (SOMO), while higher transitions correspond to C1s excitations from terminal carbon atoms. Furthermore, we investigated the fragmentation of the radical following resonant C1s excitation by electron-ion-coincidence spectroscopy. Several fragmentation channels were identified. The C1s excitation of the terminal carbons is associated with a stronger fragmentation tendency compared to the lowest C1s excitation of the central carbon into the SOMO. For this core excited state, we still observe an intact parent ion, C4H9+, and a comparatively higher tendency to dissociate into CH3+ + C3H6+.

Analysis of Avoided Level Crossing Muon Spin Resonance Spectra of Muoniated Radicals in Anisotropic Environments: Estimation of Muon Dipolar Hyperfine Parameters for Lorentzian-like Δ1 Resonances

Avoided level crossing muon spin resonance (ALC-μSR) is used to characterize muoniated free radicals. These radicals are used as probes of the local environment and reorientational motion of specific components in complex systems. The parameter that provides information about the anisotropic motion is the motionally-averaged muon dipolar-hyperfine coupling constant (Dμ‖). The ALC-μSR spectra of muoniated radicals in anisotropic environments frequently have Lorentzian-like Δ1 resonances, which makes it challenging to extract Dμ‖. In this paper, we derive a means to estimate|Dμ‖| from ALC-μSR spectra with Lorentzian-like resonances by measuring the amplitude, width, and position of the Δ1 resonance and the amplitude, width, and position of a Δ0 resonance. Numerical simulations were used to test this relationship for radicals with a wide range of muon and proton hyperfine parameters. We use this methodology to determine |Dμ‖| for the Mu adducts of the cosurfactant 2-phenylethanol in C12E4 bilayers. From this we determined the amplitude of the anisotropic reorientational motion of the cosurfactant.

Investigating H-atom reactions in small PAHs with imperfect aromaticity: A combined experimental and computational study of indene (C9H8) and indane (C9H10).

Polycyclic aromatic hydrocarbons (PAHs) are widely recognized as catalysts for interstellar H2 formation. Extensive exploration into the catalytic potential of various PAHs has encompassed both theoretical investigations and experimental studies. In the present study, we focused on studying the reactivity of an imperfect aromatic molecule, indene (C9H8), and its hydrogenated counterpart, indane (C9H10), as potential catalysts for H2 formation within the interstellar medium. The reactions of these molecules with H atoms at 3.1K were investigated experimentally using the para-H2 matrix isolation technique. Our experimental results demonstrate that both indene and indane are reactive toward H atoms. Indene can participate in H-atom-abstraction and H-atom-addition reactions, whereas indane primarily undergoes H-atom-abstraction reactions. The H-atom-abstraction reaction of indene results in the formation of the 1-indenyl radical (R1) (C9H7) and H2molecule. Simultaneously, an H-atom-addition reaction forms the 1,2-dihydro-indene-3-yl radical (R2) (C9H9). Experiments also reveal that the H-atom-abstraction reaction of indane also produces the R2 radical. To the best of our knowledge, this study represents the first reporting of the infrared spectra of R1 and R2 radicals. The experimental results, combined with theoretical findings, suggest that indane and indene may play a role in the catalytic formation of interstellar H2. Furthermore, these results imply a quasi-equilibrium between the investigated molecules and the formed radicals via H-atom-addition and H-atom-abstraction reactions.

Vibrational Circular Dichroism of a Chiral Triplet Nitrene Investigated Under Matrix-Isolation Conditions in Parahydrogen.

Vibrational circular dichroism (VCD) spectra of chiral high-spin organic radicals are expected to show a strong intensity enhancement and are thought to be difficult to predict using state-of-the-art theoretical methods. Herein we show that the chiral triplet nitrene obtained from photochemical cleavage of N2 from enantiopure 2-azido-9H-fluorenol does not feature extraordinarily strong intensities and that the experimental spectra match nicely with calculated ones. Thereby, this study demonstrates the general feasibility of studies on chiral high-spin organics by matrix-isolation VCD.

Quantification of Free Radicals from Vaping Electronic Cigarettes Containing Nicotine Salt Solutions with Different Organic Acid Types and Concentrations.

Electronic (e-) cigarette formulations containing nicotine salts from a range of organic acid conjugates and pH values have dominated the commercial market. The acids in the nicotine salt formulations may alter the redox environment in e-cigarettes, impacting free radical formation in e-cigarette aerosol. Here, the generation of aerosol mass and free radicals from a fourth-generation e-cigarette device was evaluated at 2 wt % nicotine salts (pH 7, 30:70 mixture propylene glycol to vegetable glycerin) across eight organic acids used in e-liquids: benzoic acid (BA), salicylic acid (SLA), lactic acid (LA), levulinic acid (LVA), succinic acid (SA), malic acid (MA), tartaric acid (TA), and citric acid (CA). Furthermore, 2 wt % BA nicotine salts were studied at the following nicotine to acid ratios: 1:2 (pH 4), 1:1 (pH 7), and 2:1 (pH 8), in comparison with freebase nicotine (pH 10). Radical yields were quantified by spin-trapping and electron paramagnetic resonance (EPR) spectroscopy. The EPR spectra of free radicals in the nicotine salt aerosol matched those generated from the Fenton reaction, which are primarily hydroxyl (OH) radicals and other reactive oxygen species (ROS). Although the aerosol mass formation was not significantly different for most of the tested nicotine salts and acid concentrations, notable ROS yields were observed only from BA, CA, and TA under the study conditions. The e-liquids with SLA, LA, LVA, SA, and MA produced less ROS than the 2 wt % freebase nicotine e-liquid, suggesting that organic acids may play dual roles in the production and scavenging of ROS. For BA nicotine salts, it was found that the ROS yield increased with a higher acid concentration (or a lower nicotine to acid ratio). The observation that BA nicotine salts produce the highest ROS yield in aerosol generated from a fourth-generation vape device, which increases with acid concentration, has important implications for ROS-mediated health outcomes that may be relevant to consumers, manufacturers, and regulatory agencies.

Rotational Spectrum of the Phenoxy Radical.

We report the hyperfine-resolved rotational spectrum of the gas-phase phenoxy radical in the 8-25 GHz frequency range using cavity Fourier transform microwave spectroscopy. A complete assignment of its complex but well-resolved fine and hyperfine splittings yielded a precisely determined set of rotational constants, spin-rotation parameters, and nuclear hyperfine coupling constants. These results are interpreted with support from high-level quantum chemical calculations to gain detailed insight into the distribution of the unpaired π electron in this prototypical resonance-stabilized radical. The accurate laboratory rest frequencies enable studies of the chemistry of phenoxy in both the laboratory and space. The prospects of extending the present experimental and theoretical techniques to investigate the rotational spectra of isotopic variants and structural isomers of phenoxy and other important gas-phase radical intermediates that are yet undetected at radio wavelengths are discussed.

ExROPPP: Fast, accurate, and spin-pure calculation of the electronically excited states of organic hydrocarbon radicals.

Recent years have seen an explosion of interest in organic radicals due to their promise for highly efficient organic light-emitting diodes and molecular qubits. However, accurately and inexpensively computing their electronic structure has been challenging, especially for excited states, due to the spin-contamination problem. Furthermore, while alternacy or "pseudoparity" rules have guided the interpretation and prediction of the excited states of closed-shell hydrocarbons since the 1950s, similar general rules for hydrocarbon radicals have not to our knowledge been found yet. In this article, we present solutions to both of these challenges. First, we combine the extended configuration interaction singles method with Pariser-Parr-Pople (PPP) theory to obtain a method that we call ExROPPP (Extended Restricted Open-shell PPP) theory. We find that ExROPPP computes spin-pure excited states of hydrocarbon radicals with comparable accuracy to experiment as high-level general multi-configurational quasi-degenerate perturbation theory calculations but at a computational cost that is at least two orders of magnitude lower. We then use ExROPPP to derive widely applicable rules for the spectra of alternant hydrocarbon radicals, which are completely consistent with our computed results. These findings pave the way for highly accurate and efficient computation and prediction of the excited states of organic radicals.

Interfacial complexation between Fe3+ and Bi2MoO6 promote efficient persulfate activation via Fe3+/Fe2+ cycle for organic contaminates degradation upon visible light irradiation

To address the observed decrease in efficiency during Fe2+-mediated persulfate (PDS) activation caused by slow electron transfer rates and challenges in cycling between Fe3+/Fe2+ states, we devised a strategy to establish interfacial complexation between Fe3+ and Bi2MoO6 in the presence of PDS. The proposed approach facilitates more efficient capture of photogenerated electrons, thereby accelerating the rate-limiting reduction process of the Fe3+/Fe2+ cycle under visible light irradiation and promoting PDS activation. The Bi2MoO6/Fe3+/PDS/Vis system demonstrates complete degradation of organic pollutants, including Atrazine (ATZ), carbamazepine (CBZ), bisphenol A (BPA), and 2,4-dichlorophenol (DCP) at a concentration of 10 mg/L within a rapid reaction time of 30 min. Radical scavenging experiments and electron paramagnetic resonance spectra (EPR) confirm that the sulfate radical (•SO4−) is the dominant species responsible for organic contaminant degradation. The real-time conversion process between Fe3+ and Fe2+ was monitored by observing changes in iron species forms and concentrations within the reaction system. X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy verify the formation of a complexation between Fe3+ and Bi2MoO6, facilitating anchoring of Fe3+ onto material surface. Based on these findings, we propose a reliable mechanism for the activation reaction. This work presents a promising heterogeneous PDS activation method based on Fe3+/Fe2+ cycle for water treatment.

Methods of interaction of Russian conservatives with society and government. The question of the status of the Grand Duchy of Finland at the beginning of the XX century

The subject of the study is the change in the methods of interaction of the Russian conservative trend with society and government structures within the framework of the anti-Finnish discourse in the early twentieth century. The author examines in detail such aspects of the topic as the return of the "Finnish question" to Russian journalism after the assassination of Alexander II by the People's Deputies and a sharp change in the internal political course of the government; the influence of right-wing monarchical organizations (especially the "Russian Assembly") on the spread of anti-Finnish sentiments in Russian society and senior government circles; the actualization of the "Finnish question" in the context of the actions of the tsarist government by incorporation of the outskirts. Special attention is paid to the transition of anti-Finlandic sentiments from the plane of public controversy on the pages of Russian magazines into the practical activities of Russian officials to limit the autonomous rights of the Grand Duchy of Finland. The main content of the research methodology is the study from the point of view of objectivity and historicism of materials giving an idea that the strengthening of anti-Finlandic sentiments among representatives of the right-wing radical spectrum of the Russian social movement, which was caused by revolutionary shifts in the life of Russia at the beginning of the twentieth century. The main conclusions of the study are: 1) disagreements over the status of the Grand Duchy of Finland became part of the ideological and practical confrontation between different social groups in Russia at the beginning of the twentieth century; 2) the vector of Russian policy regarding the autonomous rights of Finland is changing, and this problem is again becoming part of the information agenda, mainly in conservative publications. The author's special contribution to the research of the topic is to identify the reasons for the change in the nature of the discussion of the status of Finland in the context of serious changes in the Russian Empire at the beginning of the twentieth century. The novelty of the research lies in the analysis of the events of a crucial historical stage, when the activation of the revolutionary and national liberation movement caused a tendency to strengthen pro-monarchist groups seeking to counter the destructive anti-state challenges in the national issue of the idea of preserving the state.

Spectroscopic detection of the gallium methylene (GaCH2 and GaCD2) free radical in the gas phase by laser-induced fluorescence and emission spectroscopy.

GaCH2, a free radical thought to play a role in the chemical vapor deposition of gallium-containing thin films and semiconductors, has been spectroscopically detected for the first time. The radical was produced in a pulsed discharge jet using a precursor mixture of trimethylgallium vapor in high pressure argon and studied by laser-induced fluorescence and wavelength resolved emission techniques. Partially rotationally resolved spectra of the hydrogenated and deuterated species were obtained, and they exhibit the nuclear statistical weight variations and subband structure expected for a 2A2-2B1 electronic transition. The measured spectroscopic quantities have been compared to our own abinitio calculations of the ground and excited state properties. The electronic spectrum of gallium methylene is similar to the corresponding spectrum of the aluminum methylene radical, which we reported in 2022.

High-Resolution Spectroscopic Investigation of the CH2CHO Radical in the Sub-Millimeter Region.

In this work, the pure rotational spectrum of the vinoxy radical (CH2CHO) has been studied at millimeter and sub-millimeter wavelengths (110-860 GHz). CH2CHO was produced by H-abstraction from acetaldehyde (CH3CHO) using atomic fluorine in a double-pass absorption cell at room temperature. A Zeeman-modulation spectrometer, in which an external magnetic field generated inside the absorption cell is amplitude-modulated, was used to record the pure rotational transitions of the radical. The recorded spectra are devoid of signals from closed-shell species, allowing for relatively fast acquisitions over wide spectral windows. Transitions involving values of the rotational quantum numbers N″ and Ka″ up to 41 and 18, respectively, were measured and combined with all available high-resolution literature data (both pure rotation and ground-state combination differences from ro-vibration) to greatly improve the modeling of the CH2CHO spectrum. The combined experimental line list is fit using a semirigid rotor Hamiltonian, and the results are compared to quantum chemical calculations. This laboratory study provides the spectroscopic information needed to search for CH2CHO in various interstellar environments, from cold (e.g., typically 10 K for dense molecular clouds) to warm (e.g., ∼200 K for hot corinos) objects.

Photoelectron spectrum of the pyridyl radical.

We report the photoelectron spectrum of the pyridyl radical (C5H4N), a species of interest in astrochemistry and combustion. The radicals were produced via hydrogen abstraction in a fluorine discharge and ionized with synchrotron radiation. Mass-selected slow photoelectron spectra of the products were obtained from photoelectron-photoion coincidence spectra. A Franck-Condon simulation based on computed geometries and vibrational frequencies identified contributions of the o- and p-pyridyl radicals. For the o-isomer an adiabatic ionisation energy of 7.70 eV was obtained, in excellent agreement with a computed value of 7.72 eV. The spectrum of o-pyridyl is characterized by a long progression in an in-plane bending mode and the N-C stretch that contains the radical site.

Electron Spin Resonance Spectrum Simulations of Possible Radicals of the Ketoprofen Molecule

In this study, the molecular structure of Ketoprofen molecule, which is the drug active ingredient , was revealed by using the Density Functional Theory method and the Molecular Mechanical Force Field method. First of all, conformational space scanning in the Ketoprofen molecule was performed by the Molecular Mechanical Force Field method. The most stable structure of the ketoprofen molecule was found with the help of the Density Functional Theory method. The geometry parameters of the ketoprofen molecule and the Nuclear Magnetic Resonance parameters were calculated with the help of the Density Functional Theory method. Possible radicals were modeled using the most stable structure of the ketoprofen molecule. Electron Spin Resonance parameters of these possible radicals were calculated with the Density Functions Theory method. The calculated Electron Spin Resonance parameters were used in the JEOL IsoSimu/Fa Version 2.2.0 simulation program and theoretical Electron Spin Resonance spectra of possible radicals were obtained.

Interaction of magnesium ions with semiquinone radicals of tiron used as an indicator of reactive oxygen species

Electron paramagnetic resonance spectroscopy (EPR) and quantum chemical calculations based on density functional theory were used to demonstrate that the earlier observed changes in the EPR spectra of Tiron semiquinone radical dissolved in sea water solution occur due to interaction of Mg2+ ions with Tiron radical. This interaction is caused by electrostatic attraction between Mg2+ ions and Tiron radicals, which bears great charges of opposite sign (+2 and -3), on the one hand, and due to the ability of Mg2+ ion to bind to bidentate oxygen-containing ligands efficiently, on the other hand. The formation of tight contact ion pairs leads to electron and spin density redistribution in the Tiron radical, as can been seen by the observed changes in the EPR spectra of the radical.

Continuous wave cavity ringdown spectroscopy incorporating with an off-axis arrangement, white noise perturbation, and optical re-injection

We present an ultra-sensitive continuous wave cavity ringdown spectroscopy (cw-CRDS) spectrometer to record high resolution spectra of reactive radicals and ions in a pulsed supersonic plasma. The spectrometer employs a home-made external cavity diode laser as the tunable light source, with its wavelength modulated by radio-frequency white noise. The ringdown cavity with a finesse of ∼105 is arranged with an off-axis alignment. The combination of the off-axis cavity and the white-noise perturbed laser yields quasi-continuum laser-cavity coupling without the need of mode matching. The cavity is further incorporated with an extra multi-pass cavity for optical re-injection of light reflected off the master cavity, which significantly increases the throughput power of the high-finesse cavity. A fast switchable semiconductor optical amplifier is used to modulate the cw laser beam to square wave pulses and to initialize timing controlled ringdown events, which are synchronized to the plasma pulses with an accuracy of ∼3 µs. The performance and potential of the cw-CRDS spectrometer are illustrated and discussed, based on the high resolution near-infrared spectroscopic detection of trace 13C13C radicals generated in a pulsed supersonic C2H2/Ar plasma with a pulse duration of ∼50 µs.

A-Band Absorption Spectrum of the ClSO Radical: Electronic Structure of the Sulfinyl Group.

Sulfur oxide species (RSOx) play a critical role in many fields, ranging from biology to atmospheric chemistry. Chlorine-containing sulfur oxides may play a key role in sulfate aerosol formation in Venus' cloud layer by catalyzing the oxidation of SO to SO2 via sulfinyl radicals (RSO). We present results from the gas-phase UV-vis transient absorption spectroscopy study of the simplest sulfinyl radical, ClSO, generated from the pulsed-laser photolysis of thionyl chloride at 248 nm (at 40 Torr of N2 and 292 K). A weak absorption spectrum from 350 to 480 nm with a peak at 385 nm was observed, with partially resolved vibronic bands (spacing = 226 cm-1), and a peak cross section σ(385 nm) = (7.6 ± 1.9) × 10-20 cm2. From ab initio calculations at the EOMEE-CCSD/ano-pVQZ level, we assigned this band to 12A' ← X2A″ and 22A' ← X2A″ transitions. The spectrum was modeled as a sum of a bound-to-free transition to the 12A' state and a bound-to-bound transition to the 22A' state with similar oscillator strengths; the prediction agreed well with the observed spectrum. We attributed the vibronic structure to a progression in the bending vibration of the 22A' state. Further calculations at the XDW-CASPT2 level predicted a conical intersection between the excited 12A' and 22A' potential energy surfaces near the Franck-Condon region. The geometry of the minimum-energy conical intersection was similar to that of the ground-state geometry. The lack of structure at shorter wavelengths could be evidence of a short excited-state lifetime arising from strong vibronic coupling. From simplified molecular orbital analysis, we attributed the ClSO spectrum to transitions involving the out-of-plane π/π* orbitals along the S-O bond and the in-plane orbital possessing a σ/σ* character along the S-Cl bond. We hypothesize that these orbitals are common to other sulfinyl radicals, RSO, which would share a combination of a strong and a weak transition in the UV (near 300 nm) and visible (400-600 nm) regions.