Matches in SemOpenAlex for { <https://semopenalex.org/work/W1968176057> ?p ?o ?g. }
- W1968176057 endingPage "8488" @default.
- W1968176057 startingPage "8484" @default.
- W1968176057 abstract "Laser evaporation of carbon-rich uranium/carbon alloys followed by atom reactions in a solid argon matrix and trapping at 8 K gives weak infrared absorptions for CUO at 852 and 804 cm−1. A new band at 827 cm−1 becomes a doublet with mixed carbon 12 and 13 isotopes and exhibits the 1.0381 isotopic frequency ratio, which is appropriate for the UC diatomic molecule, and another new band at 891 cm−1 gives a three-band mixed isotopic spectrum with the 1.0366 isotopic frequency ratio, which is characteristic of the linear CUC molecule. CASPT2 calculations with dynamical correlation find the C≡U≡C ground state as linear 3Σu+ with 1.840 Å bond length and molecular orbital occupancies for an effective bond order of 2.83. Similar calculations with spin-orbit coupling show that the U≡C diatomic molecule has a quintet (Λ = 5, Ω = 3) ground state, a similar 1.855 Å bond length, and a fully developed triple bond of 2.82 effective bond order." @default.
- W1968176057 created "2016-06-24" @default.
- W1968176057 creator A5001820533 @default.
- W1968176057 creator A5029634322 @default.
- W1968176057 creator A5031475155 @default.
- W1968176057 creator A5043232938 @default.
- W1968176057 creator A5044206397 @default.
- W1968176057 creator A5046220572 @default.
- W1968176057 creator A5075288249 @default.
- W1968176057 creator A5084138890 @default.
- W1968176057 creator A5085859620 @default.
- W1968176057 date "2010-05-26" @default.
- W1968176057 modified "2023-10-10" @default.
- W1968176057 title "Infrared Spectra and Quantum Chemical Calculations of the Uranium Carbide Molecules UC and CUC with Triple Bonds" @default.
- W1968176057 cites W1452842570 @default.
- W1968176057 cites W1575543655 @default.
- W1968176057 cites W1965336571 @default.
- W1968176057 cites W1970408208 @default.
- W1968176057 cites W1971955616 @default.
- W1968176057 cites W1972282821 @default.
- W1968176057 cites W2009399889 @default.
- W1968176057 cites W2010411988 @default.
- W1968176057 cites W2010891163 @default.
- W1968176057 cites W2012778107 @default.
- W1968176057 cites W2017870326 @default.
- W1968176057 cites W2019176142 @default.
- W1968176057 cites W2023271753 @default.
- W1968176057 cites W2024345559 @default.
- W1968176057 cites W2029936615 @default.
- W1968176057 cites W2031461746 @default.
- W1968176057 cites W2033685596 @default.
- W1968176057 cites W2037797631 @default.
- W1968176057 cites W2038352494 @default.
- W1968176057 cites W2045656013 @default.
- W1968176057 cites W2046700335 @default.
- W1968176057 cites W2049996223 @default.
- W1968176057 cites W2051058309 @default.
- W1968176057 cites W2057879055 @default.
- W1968176057 cites W2071449161 @default.
- W1968176057 cites W2081149031 @default.
- W1968176057 cites W2083518550 @default.
- W1968176057 cites W2084584397 @default.
- W1968176057 cites W2086288648 @default.
- W1968176057 cites W2086957099 @default.
- W1968176057 cites W2094486326 @default.
- W1968176057 cites W2097384602 @default.
- W1968176057 cites W2117894566 @default.
- W1968176057 cites W2122134641 @default.
- W1968176057 cites W2129579634 @default.
- W1968176057 cites W2134002147 @default.
- W1968176057 cites W2142914521 @default.
- W1968176057 cites W2143981217 @default.
- W1968176057 cites W2149422045 @default.
- W1968176057 cites W2153095586 @default.
- W1968176057 cites W2218495967 @default.
- W1968176057 cites W2317436765 @default.
- W1968176057 cites W248769930 @default.
- W1968176057 cites W2510067381 @default.
- W1968176057 cites W2950087481 @default.
- W1968176057 cites W2951244216 @default.
- W1968176057 cites W3017998336 @default.
- W1968176057 cites W4232176132 @default.
- W1968176057 cites W4232498435 @default.
- W1968176057 cites W2053384450 @default.
- W1968176057 doi "https://doi.org/10.1021/ja102475t" @default.
- W1968176057 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/20504028" @default.
- W1968176057 hasPublicationYear "2010" @default.
- W1968176057 type Work @default.
- W1968176057 sameAs 1968176057 @default.
- W1968176057 citedByCount "49" @default.
- W1968176057 countsByYear W19681760572012 @default.
- W1968176057 countsByYear W19681760572013 @default.
- W1968176057 countsByYear W19681760572014 @default.
- W1968176057 countsByYear W19681760572015 @default.
- W1968176057 countsByYear W19681760572016 @default.
- W1968176057 countsByYear W19681760572017 @default.
- W1968176057 countsByYear W19681760572018 @default.
- W1968176057 countsByYear W19681760572019 @default.
- W1968176057 countsByYear W19681760572020 @default.
- W1968176057 countsByYear W19681760572021 @default.
- W1968176057 countsByYear W19681760572022 @default.
- W1968176057 countsByYear W19681760572023 @default.
- W1968176057 crossrefType "journal-article" @default.
- W1968176057 hasAuthorship W1968176057A5001820533 @default.
- W1968176057 hasAuthorship W1968176057A5029634322 @default.
- W1968176057 hasAuthorship W1968176057A5031475155 @default.
- W1968176057 hasAuthorship W1968176057A5043232938 @default.
- W1968176057 hasAuthorship W1968176057A5044206397 @default.
- W1968176057 hasAuthorship W1968176057A5046220572 @default.
- W1968176057 hasAuthorship W1968176057A5075288249 @default.
- W1968176057 hasAuthorship W1968176057A5084138890 @default.
- W1968176057 hasAuthorship W1968176057A5085859620 @default.
- W1968176057 hasConcept C104779481 @default.
- W1968176057 hasConcept C111806078 @default.
- W1968176057 hasConcept C121332964 @default.
- W1968176057 hasConcept C124600460 @default.
- W1968176057 hasConcept C140205800 @default.
- W1968176057 hasConcept C155860418 @default.