分类: 化学 >> 物理化学 提交时间: 2017-11-05 合作期刊: 《结构化学》
摘要: Intermolecular interactions between PH2Cl and Ar–R (R = H, OH, NH2, CH3, Br, Cl, F, CN, NO2) were calculated by using MP2/aug-cc-pVDZ quantum chemical method. It has been shown from our calculations that the aromatic rings with electron-withdrawing groups represent much weaker binding affinities than those with electron-donating groups. The charge-transfer interaction between PH2Cl and Ar–R plays an important role in the formation of pnicogen bond complexes, as revealed by NBO analysis. Nevertheless, AIM analysis shows that the nature of the interactions between PH2Cl and Ar–R is electrostatic, and the interaction energies of the complexes are correlated positively with the electron densities in the bond critical points (BCPs). RDG/ELF graphical analyses were performed to visualize the positions and strengths of the pnicogen bonding, as well as the spatial change of the electron localization upon the formation of complexes. The π-type halogen bond was also calculated, and it has been revealed that the π-type pnicogen bond systems are more stable than the halogen bond ones.
分类: 天文学 >> 天文学 提交时间: 2023-02-19
摘要: In the archive of the Ground Wide Angle Camera (GWAC), we found 43 white light flares from 43 stars, among which, three are sympathetic or homologous flares, and one of them also has a quasi-periodic pulsation with a period of $13.0\pm1.5$ minutes. Among these 43 flare stars, there are 19 new active stars and 41 stars that have available TESS and/or K2 light curves, from which we found 931 stellar flares. We also obtained rotational or orbital periods of 34 GWAC flare stars, of which 33 are less than 5.4 days, and ephemerides of three eclipsing binaries from these light curves. Combining with low resolution spectra from LAMOST and the Xinglong 2.16m telescope, we found that $L_{\rm H\alpha}/L_{\rm bol}$ are in the saturation region in the rotation-activity diagram. From the LAMOST medium-resolution spectrum, we found that Star \#3 (HAT 178-02667) has double H$\alpha$ emissions which imply it is a binary, and two components are both active stars. Thirteen stars have flare frequency distributions (FFDs) from TESS and/or K2 light curves. These FFDs show that the flares detected by GWAC can occur at a frequency of 0.5 to 9.5 yr$^{-1}$. The impact of flares on habitable planets was also studied based on these FFDs, and flares from some GWAC flare stars may produce enough energetic flares to destroy ozone layers, but none can trigger prebiotic chemistry on their habitable planets.
分类: 天文学 >> 天文学 提交时间: 2023-02-19
摘要: In the archive of the Ground Wide Angle Camera (GWAC), we found 43 white light flares from 43 stars, among which, three are sympathetic or homologous flares, and one of them also has a quasi-periodic pulsation with a period of $13.0\pm1.5$ minutes. Among these 43 flare stars, there are 19 new active stars and 41 stars that have available TESS and/or K2 light curves, from which we found 931 stellar flares. We also obtained rotational or orbital periods of 34 GWAC flare stars, of which 33 are less than 5.4 days, and ephemerides of three eclipsing binaries from these light curves. Combining with low resolution spectra from LAMOST and the Xinglong 2.16m telescope, we found that $L_{\rm H\alpha}/L_{\rm bol}$ are in the saturation region in the rotation-activity diagram. From the LAMOST medium-resolution spectrum, we found that Star \#3 (HAT 178-02667) has double H$\alpha$ emissions which imply it is a binary, and two components are both active stars. Thirteen stars have flare frequency distributions (FFDs) from TESS and/or K2 light curves. These FFDs show that the flares detected by GWAC can occur at a frequency of 0.5 to 9.5 yr$^{-1}$. The impact of flares on habitable planets was also studied based on these FFDs, and flares from some GWAC flare stars may produce enough energetic flares to destroy ozone layers, but none can trigger prebiotic chemistry on their habitable planets.