F2BMF (M = B and Al) Molecules: A Matrix Infrared Spectra and Theoretical Calculations Investigation

Abstract

Reactions of laser-ablated B and Al atoms with BF3 have been explored in the 4 K excess neon through the matrix isolation infrared spectrum, isotopic substitutions and quantum chemical calculations. The inserted complexes F2BMF (M = B, Al) were identified by anti-symmetric and symmetric stretching modes of F-B-F, and the F-11B-F stretch modes are at 1336.9 and 1202.4 cm−1 for F211B11BF and at 1281.5 and 1180.8 cm−1 for F211BAlF. The CASSCF analysis, EDA-NOCV calculation and the theory of atoms-in-molecules (AIM) are applied to investigate the bonding characters of F2BBF and F2BAlF molecules. The bonding difference between boron and aluminum complexes reveals interesting chemistries, and the FB species stabilization by a main group atom was first observed in this article.

Synthesis and characterization of azaborepin radicals in solid neon through boron-mediated C–N bond cleavage of pyridine

“…These shifts are mainly due to the N-B stretching mode, consistent with the previous observation of the N-B stretching band at 1266.2 cm À1 for the (NN)BB(NN) molecule. 44 The absorption band at 1247.8 cm À1 shows 3.0 cm À1 11 B isotopic shifts, 12.6 cm À1 15 N isotopic shifts, and 80.6 D isotopic shifts, suggesting its association with C-N stretching mixed C-H stretching modes. The absorption band at 664.1 cm À1 shows 0.4 cm À1 11 B isotopic shifts, 2.8 cm À1 15 N isotopic shifts, and 94.7 D isotopic shifts, and it can be attributed to the C-H bending mode.…”

Near-infrared excitation Raman analysis of Underlying colorants on redyed fabric

“…Specically, we only observed a small increase in the intensity of 1331 cm −1 , as well as 1590 and 1611 cm −1 . 31 Finally, re-dying of red cotton with purple colorant resulted in drastic changes in the intensity of most of vibrational bands, including 968, 1149, 1237, 1289, 1336, 1378, 1475 and 1602 cm −1 . These results conrm the stated above conclusion that NIeRS can be used to reveal the information about the underlying colorant if the fabric was re-dyed aerwards.…”

“…[28][29][30] Our group recently found that utilization of near-infrared (NIR) excitation (l = 830 nm) in RS (NIeRS) could be used to overcome dye uorescence. 31 Most of commercially available dyes that have plant, insect or synthetic origin exhibit strong uorescence in green-red parts of electromagnetic spectrum. This limits the use of excitation wavelength in this spectral region for RS.…”

Exploring the mechanism of 6-Methoxydihydrosanguinarine in the treatment of lung adenocarcinoma based on network pharmacology, molecular docking and experimental investigation

“…Natural products have recently garnered significant interest owing to their potential anti-cancer effects, which could pave the way for the development of innovative medications. 6-MDS is a natural benzophenanthridine alkaloid [50] which has shown promising anti-cancer effects. However, whether 6-MDS exhibits anti-cancer properties on LUAD and the underlying pharmacological mechanism needs further study.…”