2020
DOI: 10.1039/d0cp01928c
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Anomaly in the stability of the hydroxides of icosagens (B and Al) and their noble gas (Xe and Rn) derivatives: a comparative study

Abstract:

Existence of noble gas-inserted hydroxide of icosagens, HNgBO and HNgOAl (Ng = Xe and Rn) molecules, has been predicted through ab initio calculations.

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Cited by 6 publications
(5 citation statements)
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“…[80][81][82][83][84][85][86] Besides, insertion-type noble gas compounds containing an Ng-B bond have been extensively studied recently. [87][88][89][90][91] Moreover, quantum chemical methods have been proven as the most important tools in not only predicting novel noble gas compounds but also aiding their experimental characterization. For instance, noble gas-inserted molecules such as HXeOBr, 92 FKrCF, 93 and FXeCF 93 have been experimentally identified recently, which were previously theoretically predicted by our group.…”
Section: Introductionmentioning
confidence: 99%
“…[80][81][82][83][84][85][86] Besides, insertion-type noble gas compounds containing an Ng-B bond have been extensively studied recently. [87][88][89][90][91] Moreover, quantum chemical methods have been proven as the most important tools in not only predicting novel noble gas compounds but also aiding their experimental characterization. For instance, noble gas-inserted molecules such as HXeOBr, 92 FKrCF, 93 and FXeCF 93 have been experimentally identified recently, which were previously theoretically predicted by our group.…”
Section: Introductionmentioning
confidence: 99%
“…The second type is the donor–acceptor type Ng compounds, where Ng acts as an electron donor. The Ng insertion compounds containing Ng–B bonds have been studied extensively before. For the donor–acceptor type Ng compounds, BNg + in 1972 to the very recent prediction of the Ng atom bound borenium and boronium compounds containing Ng–B bonding motifs have been explored so far and the covalent nature of the Ng–B bond has been established using various quantum chemical calculations. Recently, Chattaraj and co-workers have investigated encapsulation of noble gas atoms within the B 40 borospherene cluster, magic BN-fullerenes like B 12 N 12 and B 16 N 16 , and the BN doped carbon nanotube . Furthermore, the electrophilic behavior of anions because of the presence of an uncoordinated boron atom has been reported by various groups of researchers, and subsequently their binding with the noble gas atoms has also been found to be viable. ,,,− …”
Section: Introductionmentioning
confidence: 99%
“…The domain of the noble gas chemistry has expanded after the discovery of the first stable molecule of argon (HArF) characterized using the infrared absorption spectroscopic technique supported by ab initio quantum chemical calculations by Räsänen and co-workers in 2000. , Following this revolutionized work, various noble gas-containing neutral and charged chemical compounds , have been predicted theoretically and prepared via suitable experimental techniques. In general, these metastable compounds are obtained by inserting a noble gas atom into a stable molecule having either astronomical significance such as HCO + , HCS + , and HN 2 + or environmental importance such as HOX (X = F, Cl, and Br) and H 3 O + .…”
Section: Introductionmentioning
confidence: 99%