Hydrogen splitting by pyramidalized 13–15 donor–acceptor cryptands: A computational study
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.25845
Abstract: A series of new donor–acceptor cryptands, where pyramidalized donor (azaadamantane) and acceptor (bora/ala/adamantane) molecules are spatially oriented toward each other and linked via aromatic spacer, are constructed and computationally studied at M06‐2X and ωB97X‐D levels… read more here.
Keywords: hydrogen splitting; pyramidalized donor; hydrogen; donor acceptor ... See more keywords