Understanding ammonia oxidation over metal oxide surfaces is crucial for improving its detection with resistive type gas sensors. Formation of NOx during this process makes sensor response and calibration unstable. Cr‐doping of nanocrystalline metal oxides has been reported to suppress NO2 sensitivity and improve response towards NH3, however the exact mechanism of such chromium action remained unknown. Herein, by using EPR spectroscopy we demonstrate formation of Cr(VI) lattice defects on the surface of nanocrystalline Cr‐doped SnO2. Enhancement of Cr‐doped SnO2 surface acidity and ammonia adsorption as a result has been revealed by using in situ IR spectroscopy. Moreover, a decrease in concentration of free electrons in the conduction band has been shown as a result of substitutional Cr(III) defects formation. Weaker NOx chemisorption during ammonia oxidation over SnO2 surface after Cr doping has been found with the use of mass‐spectrometry assisted NH3 thermo‐programmed desorption. The given example of surface acidity adjustment and electronic configuration by means of doping may find use in the design of new gas‐sensing metal oxide materials.
Here, we present new cryogenic infrared spectra of the (Imidazole)$$_{n}\mathrm{H}^{+}$$
n
H
+
(n=1,2,3) ions. The data was obtained using helium tagging infrared predissociation spectroscopy. The new results were compared with the data obtained by Gerardi et al. (Chem. Phys. Lett. 501:172–178, 2011) using the same technique but with argon as a tag. Comparison of the two experiments, assisted by theoretical calculations, allowed us to evaluate the preferable attachment positions of argon to the (Imidazole)$$_{n}\mathrm{H}^{+}$$
n
H
+
frame. Argon attaches to nitrogen-bonded hydrogen in the case of the (Imidazole)H$$^+$$
+
ion, while in (Imidazole)$$_{2}\mathrm{H}^{+}$$
2
H
+
and (Imidazole)$$_{3}\mathrm{H}^{+}$$
3
H
+
the preferred docking sites for the argon are in the center of the complex. This conclusion is supported by analyzing the spectral features attributed to the N–H stretching vibrations. Symmetry adapted perturbation theory (SAPT) analysis of the non-covalent forces between argon and the (Imidazole)$$_{n}\mathrm{H}^{+}$$
n
H
+
(n=1,2,3) frame revealed that this switch of docking preference with increasing complex size is caused by an interplay between induction and dispersion interactions.
The article presents the methodology of the approach to substantiate the coefficients of residual oil saturation and displacement of oil by water (hereinafter Kro and Kdis). A functional dependency that is not included in the GD “Rules for the preparation of technical projects for the development of hydrocarbon deposits” is recommended for use.
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