Threshold photoelectron spectroscopy of organosulfur radicals.

We report vibrationally resolved threshold photoelectron spectra of several sulfur-containing reactive intermediates. This includes the organosulfur radicals CHS, CHS, CHSH, CHS, and SH, which are relevant in atmospheric chemistry and in astrochemical settings. Due to the high reactivity, the radicals were prepared pyrolysis of (CH)S.

Experimental and theoretical investigation of the Auger electron spectra of isothiocyanic acid, HNCS.

We investigate isothiocyanic acid, HNCS, by resonant and nonresonant Auger electron spectroscopy at the K-edge of carbon and nitrogen, and the L-edge of sulfur, employing soft X-ray synchrotron radiation. The C1s and N1s ionization energies as well as the S2s and S2p ionization energies are determined and X-ray absorption spectra reveal the transitions from the core to the virtual orbitals. Final states for all normal Auger electron spectra and the resonant ones recorded at the carbon and nitrogen edge are assigned and rationalized with theoretical spectra obtained with a wave-function based protocol.

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 ab initio calculations that are in very good agreement with the experimental data.

Photoelectron spectrum of the pyridyl radical.

We report the photoelectron spectrum of the pyridyl radical (CHN), a species of interest in astrochemistry and combustion. The radicals were produced 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.

X-ray induced fragmentation of fulminic acid, HCNO.

The fragmentation of fulminic acid, HCNO, after excitation and ionization of core electrons was investigated using Auger-electron-photoion coincidence spectroscopy. A considerable degree of site-selectivity is observed. Ionization of the carbon and oxygen 1s electron leads to around 70% CH+ + NO+, while ionization at the central N-atom produces only 37% CH+ + NO+, but preferentially forms O+ + HCN+ and O+ + CN+.

Photoelectron spectroscopy and dissociative photoionization of fulminic acid, HCNO.

We report a joint experimental and computational study of the photoelectron spectroscopy and the dissociative photoionization of fulminic acid, HCNO. The molecule is of interest to astrochemistry and astrobiology as a potential precursor of prebiotic molecules. Synchrotron radiation was used as the photon source.

Bonding in Low-Coordinated Organoarsenic and Organoantimony Compounds: A Threshold Photoelectron Spectroscopic Investigation.

Methyl and methylene compounds of arsenic and antimony have been studied by photoelectron photoion coincidence spectroscopy to investigate their relative stability. While for As both HAs=CH , As-CH and the methylene compound As=CH are identified in the spectrum, the only Sb compound observed is Sb-CH . Thus, there is a step in the main group 15 between As and Sb, regarding the relative stability of the methyl compounds.

Auger electron spectroscopy of fulminic acid, HCNO: an experimental and theoretical study.

HCNO is a molecule of considerable astrochemical interest as a precursor to prebiotic molecules. It is synthesized by preparative pyrolysis and is unstable at room temperature. Here, we investigate its spectroscopy in the soft X-ray regime at the C 1s, N 1s and O 1s edges.

Ammonia Borane, NH BH : A Threshold Photoelectron-Photoion Coincidence Study of a Potential Hydrogen-Storage Material.

We have investigated the photoionization of ammonia borane (AB) and determined adiabatic ionization energy to be 9.26±0.03 eV for the X E←X A transition.

Concentration and composition dependent aggregation of Pluronic- and Poly-(2-oxazolin)-Efavirenz formulations in biorelevant media.

Many drugs and drug candidates are poorly water-soluble. Intestinal fluids play an important role in their solubilization. However, the interactions of intestinal fluids with polymer excipients, drugs and their formulations are not fully understood.