The pure rotational spectra of the lanthanum monohalides, LaF, LaCl, LaBr, LaI

An Investigation of Lanthanum Coordination Compounds by Using Solid‐State 139La NMR Spectroscopy and Relativistic Density Functional Theory

“…[23,24,30,32] To date, the largest recorded 139 La C Q value is 144 MHz, which was reported for gaseous La I F and obtained by using high-resolution microwave spectroscopy. [48] The 139 La C Q values reported here are thus relatively small, however, the largest C Q values are approaching the current limit at which solid-state NMR can be used to measure C Q for an I = 7/2 nucleus in a single experiment at moderate applied magnetic fields using standard NMR probes. A unique feature of the 139 La NMR spectra presented in this study is that W of the chemicalshift tensor could be determined for the majority of compounds investigated (see Table 2).…”

Theoretical structure of the low‐laying electronic states of the molecule YBr

“…The 39 electrons are considered using a contracted Gaussian basis set from literature [10,11] for s, p, and d functions, to which one function f is added with the exponent 0.8 to obtain the basis (27s 20p 17d 1f/12s 7p 7d 1f ). In the range of internuclear distance R, the YBr molecule is assumed to be mainly ionic as Y ϩ Br Ϫ around the equilibrium value R e of its ground state [12][13][14]. This is indicated by the difference between the ionization potential values for the two atomic species IP(Y) ϭ 6.4 eV, while IP(Br) ϭ 11.8 eV.…”

YBa3B9O18: A Promising Scintillation Crystal

“…Therefore, efforts are still needed to search for new materials or make improvements on the old ones. In this context, Ce-doped lanthanide halides LaBr 3 , LaCl 3 , and LuCl 3 have received extensive research attention recently. − Researchers are now trying to enhance the LY of PbWO 4 , a traditional scintillation crystal that has been mainly used for electromagnetic calorimeters and photon detectors in high-energy physics, by doping to meet the requirements for detecting efficiently low-energy particles. − …”

“…In this context, Ce-doped lanthanide halides LaBr 3 , LaCl 3 , and LuCl 3 have received extensive research attention recently. [9][10][11][12] Researchers are now trying to enhance the LY of PbWO 4 , a traditional scintillation crystal that has been mainly used for electromagnetic calorimeters and photon detectors in high-energy physics, by doping to meet the requirements for detecting efficiently low-energy particles. [13][14][15] Borates have long been a focus of research because of their rich varieties in structure, wide transmittance spectra with high damage threshold, and wide band gaps.…”