Eigensolution to Morse potential for Scandium and Nitrogen monoiodides

The solutions for Morse potential energy function under the influence of Schr¨odinger equation are examined using supersymmetric approach. The energy equation obtained was used to generate eigenvalues forX1 +state of scandium monoiodide (ScI) and X3 state of nitrogen monoiodide (NI) respectively were obtained by imputing their respective spectroscopic parameters. The calculated results for the two molecules aligned excellently with the predicted/observed values.

First ground-based Fourier transform infrared (FTIR) spectrometer observations of HFC-23 at Rikubetsu, Japan, and Syowa Station, Antarctica

We have developed a procedure for retrieving atmospheric abundances of HFC-23 (CHF3) with a ground-based Fourier transform infrared (FTIR) spectrometer and analyzed the spectra observed at Rikubetsu, Japan (43.5∘ N, 143.8∘ E), and at Syowa Station, Antarctica (69.0∘ S, 39.6∘ E). The FTIR retrievals were carried out with the SFIT4 retrieval program, and the two spectral windows of 1138.5–1148.0 cm−1 and 1154.0–1160.0 cm−1 in the overlapping ν2 and ν5 vibrational–rotational transition bands of HFC-23 were used to avoid strong H2O absorption features. We considered O3, N2O, CH4, H2O, HDO, CFC-12 (CCl2F2), HCFC-22 (CHClF2), peroxyacetyl nitrate (PAN) (CH3C(O)OONO2), HCFC-141b (CH3CCl2F), and HCFC-142b (CH3CClF2) to be interfering species. Vertical profiles of H2O, HDO, and CH4 are preliminarily retrieved with other independent spectral windows because these profiles may induce large uncertainties in the HFC-23 retrieval. Each HFC-23 retrieval has only one piece of vertical information with sensitivity to HFC-23 in the troposphere and the lower stratosphere. Retrieval errors mainly arise from the systematic uncertainties of the spectroscopic parameters used to obtain HFC-23, H2O, HDO, and CH4 abundances. For comparison between FTIR-retrieved HFC-23 total columns and surface dry-air mole fractions provided by AGAGE (Advanced Global Atmospheric Gases Experiment), FTIR-retrieved HFC-23 dry-air column-averaged mole fractions (XHFC-23) were calculated. The FTIR-retrieved XHFC-23 values at Rikubetsu and Syowa Station have negative biases of −15 % to −20 % and −25 % compared to the AGAGE datasets, respectively. These negative biases might mainly come from systematic uncertainties of HFC-23 spectroscopic parameters. The trend of the FTIR-retrieved XHFC-23 data at Rikubetsu was derived for December to February (DJF) observations, which are considered to represent the background values when an air mass reaching Rikubetsu has the least influence by transport of HFC-23 emissions from nearby countries. The DJF trend of Rikubetsu over the 1997–2009 period is 0.810 ± 0.093 ppt yr−1 (ppt: parts per trillion), which is in good agreement with the trend derived from the annual global mean datasets of the AGAGE 12-box model for the same period (0.820 ± 0.013 ppt yr−1). The DJF trend of Rikubetsu over the 2008–2019 period is 0.928 ± 0.108 ppt yr−1, which is consistent with the trend in the AGAGE in situ measurements at Trinidad Head (41.1∘ N, 124.2∘ W) for the same period (0.994 ± 0.001 ppt yr−1). The trend of the FTIR-retrieved XHFC-23 data at Syowa Station over the 2007–2016 period is 0.819 ± 0.071 ppt yr−1, which is consistent with that derived from the AGAGE in situ measurements at Cape Grim (40.7∘ S, 144.7∘ E) for the same period (0.874 ± 0.002 ppt yr−1). Although there are systematic biases in the FTIR-retrieved XHFC-23 at both sites, these results indicate that ground-based FTIR observations have the capability to monitor the long-term trend of atmospheric HFC-23. If this FTIR measurement technique were extended to other Network for the Detection of Atmospheric Composition Change (NDACC) ground-based FTIR sites around world, the measurements reported from these sites would complement the global AGAGE observations by filling spatial and temporal gaps and may lead to improved insights about changes in regional and global emissions of HFC-23 and its role in global warming.

Determination of New IR and UV/VIS Spectroscopic Parameters of the C84-D2:22 Isomer for Its Quantitative Assessment, Identification and Possible Applications

The stable isomers of the higher fullerenes C76-D2 and C84-D2:22, as well as fullerenes C60 and C70 were isolated from carbon soot by the new and improved extraction and chromatographic methods and processes. Characterizations of the C84-D2:22 isomer in this study were performed by infrared and electronic absorption spectroscopy. All of the experimentally observed IR and UV/VIS bands were in excellent agreement with the semi-empirical, DFT and TB potential theoretical calculations for this molecule. The molar extinction coefficients and the integrated molar extinction coefficients of the observed larger number of completely separated infrared absorption maxima and shoulders of fullerene C84-D2:22, as well as of its main convoluted maxima, in different and new relevant entire integration ranges, including neighboring, and all surrounding absorption shoulders were determined and their relative intensities compared. In addition, the molar absorptivity of the electronic absorption bands of this carbon cluster was found. The new IR and UV/VIS spectroscopic parameters that are significant for the quantitative determination, identification and numerous possible applications of C84-D2:22 are obtained and their changes compared to C76-D2 observed. Isolated and characterized C84-D2:22, as well as other fullerenes from this research can be used in electronic, optical, chemical and biomedical devices, superconductors, semiconductors, batteries, catalysts, polymers, sensors, solar cells, nanophotonic lenses with better optical transmission, refraction and wettability, diagnostic and therapeutic pharmaceutical substances, such as those against diabetes, cancer, neurodegenerative disorders, free radical scavenging, radio nuclear, antibacterial and antiviral agents that can inhibit HIV 1, HSV, COVID-19, influenza, malaria and so forth.