Photophysical properties of gatifloxacin in aqueous solution by laser flash photolysis and pulse radiolysis

GFX in water, at pH 7.0, shows intense absorption bands with peaks at 284 and 333 nm, (ε=24,670 and 12,670 M⁻¹ cm⁻¹). Both the absorption and emission properties of GFX were pH-dependent; the pK_a values for the protonation equilibria of the ground state (5.7 and 8.9) and excited singlet state (3.6 and 7.5) of GFX were determined spectroscopically. GFX fluoresces weakly, with a maximum quantum yield for fluorescence emission (0.06) at pH 4.7. A series of experiments were performed to characterize the transient species of GFX in aqueous solution using laser flash photolysis and pulse radiolysis. GFX undergoes monophotonic photoionization with a quantum yield of 0.16 on a 355 nm laser excitation. This process leads to the formation of a long-lived cation radical with a maximum absorption at 380 nm. Triplet-triplet absorption had maximum absorption at 510 nm. The reaction of GFX with one-electron oxidant N₃• was investigated and the bimolecular rate constant was determined to be 3.1×10⁹ M⁻¹ s⁻¹.     

Interaction of colloidal AgTiO2 nanoparticles with bovine serum albumin

The interaction between colloidal AgTiO₂ nanoparticles and bovine serum albumin (BSA) was studied by using absorption, steady state, time resolved and synchronous fluorescence spectroscopy measurements. Absorption spectroscopy proved the formation of a ground state BSA?AgTiO₂ complex. Upon excitation of BSA, colloidal AgTiO₂ nanoparticles effectively quenched the intrinsic fluorescence of BSA. The number of binding sites (n = 1.06) and apparent binding constant (K = 3.71 × 10⁵ M⁻¹) were calculated by the fluorescence quenching method. A static mechanism and conformational changes of BSA were observed.     

Time-resolved optical emission spectroscopic measurements of He plasma induced by a high-power CO2 pulsed laser

Laser-induced breakdown spectroscopy of helium plasma, initially at room temperature and pressures ranging from 12 to 101 kPa was investigated using a transverse excitation atmospheric CO₂ pulsed laser (λ = 9.621 and 10.591 μm, a full width at half maximum of 64 ns, and an intensity from 1.5 to 5.36 GW cm⁻²). The helium breakdown spectrum is mainly due to electronic relaxation of excited He, He⁺ and H. Plasma characteristics were examined in detail on the emission lines of He and He⁺ by the time-integrated and time-resolved optical emission spectroscopy technique. Optical breakdown threshold intensities, ionization degree and plasma temperatures were obtained. An auxiliary metal mesh target was used to analyze the temporal evolution of the species in the plasma. The results show a faster decay of the continuum emission and He⁺ species than in the case of neutral He atoms. The velocity and kinetic energy distributions for He and He⁺ species were obtained from time-of-flight measurements. Electron density in the laser-induced plasma was estimated from the analysis of spectral data at various times from the laser pulse incidence. Temporal evolution of electron density has been used for the estimation of the three-body electron-ion recombination rate constant.     

Cavity Ring-Down Spectroscopy coupled with helium microwave-induced plasma for fluorine detection

Cavity Ring-Down Spectroscopy with a tunable diode laser has been used for the detection of fluorine at trace levels. A homemade experimental setup was constructed to accommodate the microwave-induced plasma glow discharge inside the optical cavity. The energy delivered by helium plasma discharge was successfully used not only for the dissociation of fluorine molecules but, more importantly, also for the excitation of fluorine atoms into their metastable level 3s⁴P_5/2. The absorption observed at the 3s⁴P_5/2–3p⁴D^o_7/2 transition (corresponding to a 685.603-nm atomic line) was used for fluorine atom detection. Good agreement between theoretical and measured absorption line shapes confirmed the selectivity of fluorine atomic absorption. We observed an absorption coefficient of 4 ? 10⁻⁶ cm⁻¹, corresponding to a detection of F(3s⁴P_5/2) atoms at about 1.5 ? 10⁶ atoms cm⁻³. These data demonstrate that we achieved a detection limit of 100 ng g⁻¹ under the conditions of our initial homemade experimental setup. However, the optimization of the system may lead to the improvement of the detection limit by approximately two orders of magnitude.     

Cesium fluorohydrogenate, Cs(FH)2.3F

Cs(FH)_2.3F is a liquid salt exhibiting a low viscosity of 20.1 cP and a high conductivity of 86.3 mS cm⁻¹ at 25 °C, in spite of the relatively high melting point (16.9 °C). The high density of 2.82 g cm⁻³ at the liquid state is due to the heavy atomic weight and small size of cesium atom compared to the organic cations of general ionic liquids. The infrared spectroscopy indicates that this salt contains (FH)₂F⁻ as a main anionic species. The other anionic species such as (FH)₃F⁻ found in the cases of other M⁺(HF)_2.3F (M = a univalent organic cation) ionic liquid salts is not detected, suggesting its small abundance as well as the presence of neutral HF in the form of molecular and/or oligomers. The result of ¹H NMR also suggests that the anions exchange HF between them. These observations coincide with the experimental result that Cs(FH)_2.3F acts as an acid against general ionic liquid fluorohydrogenates such as EMIm(FH)_2.3F (EMIm = 1-ethyl-3-methylimidazolium) to lose HF and give Cs(FH)₂F precipitate.     

Intra-cluster proton transfer in anilide-(HF)n (n = 1-4): Can the size of HF cluster influence the N?H-F → N-H?F switching

The impact of the HF cluster size on the proton-transfer switch between N⁻?H-F and N-H?F⁻ in the anilide-(HF)_n = 1-4 complexes was investigated by means of the quantum chemical methods. The change in the H-bond strength due to variation of the HF cluster size was well monitored by change in the binding energy (BE), structural parameter, electron density topology, natural charge and charge transfer. For n = 1, our results at the MP2/6-311++G(2d,2p) level show that the minimum-energy structure corresponds to the H-bonded complex PhNH⁻?HF with excess negative charge localized on the N atom of the anilide anion. For n > 1, minimum energy structures correspond to PhNH₂?F⁻(HF)_1-3 ones, namely a solvated F⁻ ion. This is a case in which the relative change in the acidity of the HF is observed in the ground state as the size of cluster increases. The nature of the weak interactions in the complexes was characterized by means of atoms in molecules (AIM) and the natural bond orbital (NBO) analyses.     

Be and P NMR analyses on Be complexation with cyclo-tri-μ-imidotriphosphate anions in aqueous solution

Microscopic information on the complexation of Be²⁺ with cyclo-tri-μ-imidotriphosphate anions in aqueous solution has been gained by both ⁹Be and ³¹P NMR techniques at −2.3 °C. Separate NMR signals corresponding to free and complexed species have been observed in both spectra. Based on an empirical additivity rule, i.e., proportionality observed between the ⁹Be NMR chemical shift values and the number of coordinating atoms of ligand molecules, the ⁹Be NMR spectra have been deconvoluted. By precise equilibrium analyses, the formation of [BeX(H₂O)₃]⁺ and [BeX₂(H₂O)₂]⁰ (X = non-bridging oxygen donor as a coordination atom in the phosphate groups) has been verified, and the formation of complexes coordinating with the nitrogen atoms of the cyclic framework in the ligand molecule has been excluded. Instead, the formation of one-to-one (ML) complexes, one-to-two (ML₂), together with two-to-one (M₂L) complexes (L = cP₃O₆(NH)₃) has been disclosed, the stability constants of which have been evaluated as log K_ML = 3.87 ± 0.03 (mol dm⁻³)⁻¹, log K_ML2 = 2.43 ± 0.03 (mol dm⁻³)⁻² and log K_M2L = 1.30 ± 0.02 (mol dm⁻³)⁻², respectively. ³¹P NMR spectra measured concurrently have verified the formation of the complexes estimated by the ⁹Be NMR measurement. Intrinsic ³¹P NMR chemical shift values of the phosphorus atoms belonging to ligand molecules complexed with Be²⁺, together with the ³¹P-³¹P spin-spin coupling constants have been determined.     

Low power cross-flow atmospheric pressure Ar + He plasma jet : Spectroscopic diagnostic and excitation capabilities

A cross-flow atmospheric plasma jet with distilled water or analyte solution nebulization has been investigated. The plasma gas flows perpendicularly to the RF powered electrode (11.21 MHz) and a grounded electrode was added for plasma stabilization. The working parameters of the plasma generator can be controlled in order to maximize either the plasma power (75 W) or the voltage on the RF powered electrode (plasma power, 40 W). The plasma gas, pure argon (0.4 l min⁻¹) or a mixture of argon (0.3–0.4 l min⁻¹) and helium (0–0.2 l min⁻¹), was also used for liquid nebulization. Optical emission of the plasma, collected in the normal viewing mode, was used for plasma diagnostics and for evaluating its excitation capabilities. The influence of helium content in the mixed-gas plasma on the plasma characteristics and on the emission axial profiles of the plasma gas constituents and of the analytes originate from the wet aerosol was studied. The addition of helium to the argon plasma, generally determines decreases in the emission of the plasma gas constituents (with the exception of molecular nitrogen), in the rotational temperature and in the electron number density and increases in the excitation temperatures and in the emission of easily excitable analytes. Based on the determined electron number densities, it was concluded that in the plasma zone which presents interest from analytical point of view the plasma is not very far from the partial thermodynamic equilibrium. In function of the helium content in the plasma gas and of the axial distance from the powered electrode the excitation temperatures are in the range of 2420–3340 K for argon, 2500–5450 K for oxygen and 900–2610 K for ionic calcium and the electron number densities are in the range of 1.2 10¹²–1.25 10¹³ cm⁻³. Some elements with excitation energy lower than 6 eV were excited in the plasma. The plasma excitation capability depends on the working conditions of the plasma generator (maximum power or maximum voltage on the RF powered electrode) and on the helium content in the mixed-gas plasma. The estimated detection limits for the studied elements (Na, Li, K, Ca, Cu, Ag, Cd, Hg and Zn) are in the range of 7 ng ml⁻¹ to 28 μg ml⁻¹.     

Electronic structure and magnetic properties of TMRh12 clusters

We report an experimental study of energy pooling collisions involving Cs atoms in the 6P and 5D states. The 5D state was populated by a cw dye-laser tuned to the cesium dipole-forbidden transition 6S → 5D at 685.0 nm. The 6P state was populated by subsequent radiative relaxation of the 5D state. The 6P population density was determined from the absorption of a cw diode-laser probe beam. The population densities of the 5D state and the higher, by energy pooling excited states were determined by measuring the corresponding fluorescence intensities relative to the fluorescence intensity from the optically thin quasi-static wings of the cesium D ₂ line. The rate coefficient for the process Cs*(6P)+Cs*(6P)→Cs**(6D)+Cs(6S) is found to be (4.2±0.13)×10^?10 cm³ s^?1 at T=570 K. In addition, estimates of the rate coefficients for the processes Cs*(6P)+Cs*(5D)→Cs**(7D)+Cs(6S) and Cs*(5D)+ Cs*(5D)→Cs**(7F)+Cs(6S) are given.     

The collision cross sections for the fine-structure mixing of caesium 6P levels induced by collisions with potassium atoms

The cross section for the fine-structure excitation transfer Cs(6P _1/2) → Cs(6P _3/2), induced by collisions with the ground state potassium atoms, has been measured by resonant Doppler-free two-photon spectroscopy. The population densities of caesium 6P _J (J=1/2, 3/2) levels were probed by thermionic detection of the collisionally ionized caesium atoms from the Cs(6P _J ) → Cs(10S _1/2) excitation channel. The cross section for the transfer process at the temperatureT=503 K has been found to be σ(1/2 → 3/2)=45 Ų ± 20%. The result is compared with previously published experimental cross sections for fine-structure transfer in resonance states of other alkali elements perturbed by potassium and a thoeretical value of the Li(2P _J )-K system calculated in a simple approach.     

The novel silicide Eu3Si4: structure, chemical bonding, magnetic behavior and electrical resistivity

The novel binary europium silicide Eu₃Si₄ was synthesized from the elements. Its crystal structure is a derivative of the Ta₃B₄ type: space group Immm, a=4.6164(4) Å, b=3.9583(3) Å, c=18.229(1) Å, Z=2. In the structure, the silicon atoms form one-dimensional bands of condensed hexagons. Deviating from the prototype structure, a partial corrugation of the initially planar bands may be concluded from the analysis of the experimental electron density in the vicinity of the Si1 atoms. In the paramagnetic region, Eu₃Si₄ shows a 4f⁷ electronic configuration for the europium atoms. Two consecutive magnetic ordering transitions were found at 117 and 40 K. The first one is attributed to a ferromagnetic ordering of the Eu2 atoms; the second one is caused by a ferromagnetic ordering of the Eu1 atoms resulting in a ferrimagnetic ground state with a net magnetization of 7 μ_B at 1.8 K. The temperature dependence of the electrical resistivity reflects the metallic character of the investigated compound. Furthermore, the pronounced changes of the dρ/dT slope confirm the magnetic transitions. From bonding analysis with the electron localization function, Eu₃Si₄ shows a Zintl-like character and its electronic count balance can be written as (Eu^1.83+)₃(Si1^0.95−)₂(Si2^1.8−)₂, in good agreement with its magnetic behavior in the paramagnetic region.     

The viscosity of the binary vapor mixture methanol-triethylamine at low densities and in the saturated vapor phase of the vapor-liquid equilibrium

For the first time, results of precision measurements of the viscosity coefficient of the binary vapor mixture methanol-triethylamine at low densities are reported. The relative measurements with an all-quartz oscillating-disk viscometer were carried out for nearly equimolar mixtures along five isochores at densities from 0.010 to 0.033 mol dm⁻³ as well as for a mixture of the mole fraction y_meth = 0.3322 at a density 0.016 mol dm⁻³ in the temperature range between 298 and 498 K. The uncertainty is estimated to be ±0.2% at ambient temperature, increasing to ±0.3% at higher temperatures. Isothermal values of a mixture with the averaged mole fraction y_meth = 0.5002 were recalculated from the original experimental data and evaluated with a first-order expansion for the viscosity, in terms of density. A so-called individual correlation on the basis of the extended theorem of corresponding states was employed to describe the interaction viscosity in the limit of zero density. Some data points at low temperatures had to be excluded from this calculation, since the measurements were performed in the saturated vapor phase. For these data points the vapor-liquid equilibrium had to be evaluated to assign the correct mole fraction in the vapor to the measured viscosity.     

Perspectives of laser-chemical isotope separation of a long-lived fission product: cesium-135

The cesium isotope ¹³⁵Cs has an extremely long half-life (τ_1/2 = 2.3 · 10⁶ y) and its high water solubility leads to the anxiety of exudation to ground water during geological disposal. Such a LLFP ¹³⁵Cs would be converted into ¹³⁶Cs (Its half-life is 13.16 d and it becomes stable ¹³⁶Ba) by neutron capture reaction. However intermingling ¹³³Cs of which the natural abundance is 100% disturbs this nuclear converting reaction because ¹³³Cs also absorbs neutrons and produces ¹³⁵Cs again. For separating ¹³⁵Cs from other cesium isotopes, laser-chemical isotope separation (LCIS) is believed to be suitable mainly due to the light absorption and emission stability. Isotope separation of alkali metal ⁸⁵Rb/⁸⁷Rb was successfully achieved, showed 23.9 of head separation factor by LCIS. The measured isotope shift of Cs D₂ line is within the reach of available semiconductor lasers having emission line width of less than 1 MHz, which shows that the selective excitation of ¹³⁵Cs may turn to be possible. It is known that cesium excited to the 6²P_3/2 state may forms cesium hydride while ground-state cesium does not. Therefore if the lifetime of 6²P_3/2 state is sufficiently longer than the inverse rate of the chemical reaction, ¹³⁵Cs can be extracted as cesium hydride. Applicability of the Doppler-free two-photon absorption method for selective excitation and further evaluation on Rydberg states and ionization should be investigated.     

Quantum-chemical study of transition metal complexes with benzene-1,2-dithiolate

The structure of a series of [M(bdt)₂]^q complexes, M = Cu, Ni or Co, bdt = benzene-1,2-dithiolate, q = −1, −2 or −3 with up to two unpaired electrons, has been optimized at B3LYP/6-311G* level of theory as the 6-31G* basis incorrectly produces non-planar metallocycles. Square-planar ¹[Cu(bdt)₂]⁻, ²[Ni(bdt)₂]⁻ and ³[Co(bdt)₂]⁻ systems are the most stable ones in agreement with experimental data. The formal oxidation state of the central atom M defined using the total complex charge q differs from the real M oxidation state based on its d-electron population which is always between M(I) and M(II). The greatest deal of the electron structure changes during the reduction/oxidation is related to the bdt ligands, the strength of their ‘non-innocent’ character depends on M and on the spin state of the complex. These changes are not restricted to sulphur atoms only, including spin density distribution.     

Foreign gas broadening and shift of the strongly “forbidden” lead line at 1278.9 nm

The collisional broadening and shift rate coefficients of the “forbidden“ 6p^{2 3}P₀ → 6p^{2 3}P₁ transition in lead were determined by diode laser absorption measurements performed simultaneously in two resistively heated hot-pipes. One hot-pipe contained Pb vapor and noble gas (Ar or He) at low pressure, while the other was filled with Pb and noble gas at variable pressure. The measurements were performed at temperatures of 1220 K and 1290 K, i.e., lead number densities of 4.8 × 10¹⁵ cm^− 3 and 1.2 × 10¹⁶ cm^− 3. The broadening rates were obtained by fitting the experimental collisionally broadened absorption line shapes to theoretical Voigt profiles. The shift rates were determined by measuring the difference between the peak absorption positions in the spectra measured simultaneously in the heat pipe filled with noble gas at reference pressure and the one with noble gas at variable pressure. The following data for the broadening and shift rate coefficients due to collisions with Ar and He were obtained: γ_B^Ar = (3.4 ± 0.1) × 10^− 10 cm³ s^− 1, γ_B^He = (3.8 ± 0.1) × 10^− 10 cm³ s^− 1, γ_S^Ar = (− 7.3 ± 0.8) × 10^− 11 cm³ s^− 1, γ_S^He = (− 6.5 ± 0.7) × 10^− 11 cm³ s^− 1.     

Synthesis and thermochemical properties of NF2-containing energetic salts

Ammonium, 1,5-diamino-4-methyl-tetrazolium and 4-amino-1-methyl-triazolium salts of 5-difluoroaminodifluoromethyl-tetrazolate (TA-CF₂NF₂) were prepared by metathesis reactions of silver 5-difluoroaminodifluoromethyl-tetrazolate and the corresponding iodides. All are thermally stable to ∼150 °C. The ammonium salt has a density of 1.88 g cm⁻³. The combination of the CBS-4 method and isodesmic bond separation reactions was found to be an economical and reliable method to estimate heats of formation for polyfluorinated molecules. The standard heats of formation () of ammonium 5-difluoroaminodifluoromethyl-tetrazolate was calculated to be −53.13 kcal mol⁻¹ using the CBS-4 method. While its detonation pressures (P) and velocities (D) were estimated using Cheetah 4.0: P = 28.78 GPa; D = 8490 m s⁻¹; detonation properties for 1,5-diamino-4-methyl-tetrazolium salts of 5-difluoroaminomethyltetrazolate (TA-CH₂NF₂), 5-difluoroaminotetrazolate (TA-NF₂) and 5-difluoroaminodinitromethyl-tetrazolate (TA-C(NO₂)₂NF₂) are also compared based on predicted densities and computed heats of formation.     

Synthesis, structure, and magnetic and electronic properties of Cs2Hg2USe5

The compound Cs₂Hg₂USe₅ was obtained from the solid-state reaction of U, HgSe, Cs₂Se₃, Se, and CsI at 1123 K. This material crystallizes in a new structure type in space group P2/n of the monoclinic system with a cell of dimensions a=10.276(6) Å, b=4.299(2) Å, c=15.432(9) Å, β=101.857(6) Å, and V=667.2(6) Å³. The structure contains layers separated by Cs atoms. Within the layers are distorted HgSe₄ tetrahedra and regular USe₆ octahedra. In the temperature range of 25-300 K Cs₂Hg₂USe₅ displays Curie-Weiss paramagnetism with μ_eff=3.71(2) μ_B. The compound exhibits semiconducting behavior in the [010] direction; the conductivity at 298 K is 3×10⁻³ S/cm. Formal oxidation states of Cs/Hg/U/Se may be assigned as +1/+2/+4/− 2, respectively.     

Nuclear magnetic resonance and optosensing properties of di-2-thienyl ketone p-nitrophenylhydrazone (DSKNPH) in non-aqueous media

The compound di-2-thienyl ketone p-nitrophenylhydrazone (DSKNPH) melting point 168-170 °C was isolated in good yield from the reaction between di-2-thienyl ketone (DSK) and p-nitrophenylhydrazine in refluxing ethanol containing a few drop of concentrated HCl. Nuclear magnetic resonance studies on DSKNPH in non-aqueous solvents revealed strong solvent and temperature dependence due to solvent-solute interactions. Optical measurements on DSKNPH in DMSO in the presence and absence of KPF₆ gave extinction coefficients of 83,300±2000 and 25,600±2000 M⁻¹ cm⁻¹ at 612 and 427 nm at 295 K. In CH₂Cl₂, extinction coefficient of 34,000±2000 M⁻¹ cm⁻¹ was calculated at 422 nm. When DMSO solutions of DSKNPH were allowed to interact with DMSO solutions of NaBH₄ the low energy electronic state becomes favorable and when DMSO solutions of DSPKNPH where allowed to interact with DMSO solutions of KPF₆ or NaBF₄, the high energy electronic state becomes favorable. The reversible BH₄⁻/BF₄⁻ interconversion points to physical interactions between these species and DSKNPH and hints to the possible use of DSKNPH as a spectrophotometric sensor for a variety of physical and chemical stimuli. Thermo-optical measurements on DSKNPH in DMSO confirmed the reversible interconversion between the high and low energy electronic states of DSKNPH and allowed for the calculations of the thermodynamic activation parameters of DSKNPH. Changes in enthalpy (ΔH^∅) of +57.67±4.20; 27.15±0.90 kJ mol⁻¹, entropy (ΔS^∅) of +160±12.88; 83±2.91 J mol⁻¹ and free energy (ΔG^∅) of −8.52±0.40; 2.66±0.25 kJ mol⁻¹ were calculated at 295 K in the absence and presence of NaBH₄, respectively. Manipulation of the equilibrium distribution of the high and low energy electronic states of DSKNPH allowed for the use of these systems (DSKNPH and surrounding solvent molecules) as molecular sensors for group I and II metal ions. Group I and II metal ions in concentrations as low as 1.00×10⁻⁵ M can be detected and determined using DSKNPH in DMSO.     

The structure of N-meso-(6,8,8,14,16,16-hexamethyl-1,5,9,13-tetraazacyclohexadeca-5,13-diene)nickel(II) chloro(isothiocyanato)zincate(II)

A yellow compound which was crystallised from a solution of (6,8,8,14,16,16-hexamethyl-1,5,9,13-tetraazacyclohexadeca-5,13-diene)bis(isothiocyanato)nickel(II) in aqueous zinc(II) chloride has cations with singlet ground state nickel(II) in square-planar coordination by the nitrogen atoms of the macrocycle. The asymmetric unit has two similar cations. The N₄ group of one cation is near coplanar (r.m.s. displacements ±0.009(1) Å, with Ni displaced by 0.048(1) Å from this plane) while the other cation has significant tetrahedral twisting of the N₄ group (r.m.s. displacements of N atoms ±0.126(2) Å, with Ni displaced by 0.027(2) Å from this plane). The mean Ni–N distances are Ni–N_amine = 1.950(6) and Ni–N_imine = 1.897(6) Å. Both cations have N-meso configurations with saddle conformations, with the substituted chelate rings in boat conformations tilted to one side of the NiN₄ ‘plane’ and the unsubstituted chelate rings tilted to the other side, one in a boat conformation and the other with the central methylene group disordered, the components forming boat {s.o.f. 0.70(1) and 0.74(1) for the two cations} and chair conformation chelate rings. The counter-ions have tetrahedrally coordinated zinc(II) ions, one as [ZnCl₂(NCS)₂]²⁻ ions and the other with one ligand site with disordered Cl⁻ {s.o.f. 0.78(1)} and NCS⁻ ligands, i.e. with disordered [ZnCl₂(NCS)₂]²⁻ and [ZnCl(NCS)₃]²⁻ ions, with an overall composition of [Ni(trans-Me₆[16]diene)][ZnCl_1.9(NCS)_2.1].     

Theoretical study of the thermochemistry and the kinetics of the SFxCl (x = 0-5) series

A systematic thermodynamic and kinetic study of the entire SF_xCl (x = 0-5) series has been carried out. High-level quantum chemical composite methods have been employed to derive enthalpy of formation values from calculated atomization and isodesmic energies. The resulting values for the SCl, SFCl, SF₂Cl(C₁), SF₃Cl(C_s), SF₄Cl(C_s) and SF₅Cl molecules are 28.0, −36.0, −64.2, −134.3, −158.2 and −237.1 kcal mol⁻¹. A comparison with previous experimental and theoretical values is presented. Statistical adiabatic channel model/classical trajectory, SACM/CT, calculations of selected complex-forming and recombination reactions of F and Cl atoms with radicals of the series have been performed between 200 and 500 K. The reported rate coefficients span over the normal range of about 6 × 10⁻¹² and 5 × 10⁻¹¹ cm³ molecule⁻¹ s⁻¹ expected for this type of barrierless reactions.