Matches in SemOpenAlex for { <https://semopenalex.org/work/W1964715669> ?p ?o ?g. }
- W1964715669 endingPage "1314" @default.
- W1964715669 startingPage "1307" @default.
- W1964715669 abstract "Density functional theory (DFT) calculations have been carried out on the [2+2] and [2+3] addition of ethylene to CrO bonds in CrO2Cl2. The [2+3] addition was found to be more favorable with an electronic reaction enthalpy of −9.6 kcal/mol and an activation barrier of 15.8 kcal/mol. The corresponding values for the [2+2] addition were 15.4 and 27.9 kcal/mol, respectively. It was concluded that epoxides formed in the reaction between CrO2Cl2 and olefins are unlikely to originate from a [2+2] addition path to a CrO bond as previously suggested. The two addition reactions were analyzed by the intrinsic reaction coordinate method, and comparisons were made to a previous study of [2+2] and [2+3] addition by ethylene to OsO4. Qualitative considerations were used to rationalize why the addition of ethylene to metal−oxygen bonds in tetrahedral d0 oxo complexes seems more prone to proceed by a [2+3] mechanism." @default.
- W1964715669 created "2016-06-24" @default.
- W1964715669 creator A5038188328 @default.
- W1964715669 creator A5048052919 @default.
- W1964715669 creator A5052371425 @default.
- W1964715669 date "1998-02-26" @default.
- W1964715669 modified "2023-09-23" @default.
- W1964715669 title "A Density Functional Study of [2+3] versus [2+2] Addition of Ethylene to Chromium−Oxygen Bonds in Chromyl Chloride" @default.
- W1964715669 cites W1826233890 @default.
- W1964715669 cites W1972391191 @default.
- W1964715669 cites W1975904365 @default.
- W1964715669 cites W1977664226 @default.
- W1964715669 cites W1979128782 @default.
- W1964715669 cites W1984515488 @default.
- W1964715669 cites W1985679056 @default.
- W1964715669 cites W1986156002 @default.
- W1964715669 cites W1987242438 @default.
- W1964715669 cites W1991968817 @default.
- W1964715669 cites W1992173555 @default.
- W1964715669 cites W1992460374 @default.
- W1964715669 cites W1993774897 @default.
- W1964715669 cites W1993794228 @default.
- W1964715669 cites W1997810351 @default.
- W1964715669 cites W2000186225 @default.
- W1964715669 cites W2001922968 @default.
- W1964715669 cites W2002167915 @default.
- W1964715669 cites W2004752198 @default.
- W1964715669 cites W2007225202 @default.
- W1964715669 cites W2007663400 @default.
- W1964715669 cites W2010396430 @default.
- W1964715669 cites W2017177544 @default.
- W1964715669 cites W2019769300 @default.
- W1964715669 cites W2020114693 @default.
- W1964715669 cites W2023444879 @default.
- W1964715669 cites W2030246734 @default.
- W1964715669 cites W2030687437 @default.
- W1964715669 cites W2038533471 @default.
- W1964715669 cites W2041241688 @default.
- W1964715669 cites W2042535830 @default.
- W1964715669 cites W2042845584 @default.
- W1964715669 cites W2045240206 @default.
- W1964715669 cites W2046147739 @default.
- W1964715669 cites W2046513667 @default.
- W1964715669 cites W2051546734 @default.
- W1964715669 cites W2055230539 @default.
- W1964715669 cites W2060089443 @default.
- W1964715669 cites W2063304926 @default.
- W1964715669 cites W2067433113 @default.
- W1964715669 cites W2075416157 @default.
- W1964715669 cites W2075851541 @default.
- W1964715669 cites W2079458939 @default.
- W1964715669 cites W2081159460 @default.
- W1964715669 cites W2084870239 @default.
- W1964715669 cites W2086957099 @default.
- W1964715669 cites W2090135568 @default.
- W1964715669 cites W2094824916 @default.
- W1964715669 cites W2099871009 @default.
- W1964715669 cites W2106686258 @default.
- W1964715669 cites W2123195204 @default.
- W1964715669 cites W2129726533 @default.
- W1964715669 cites W2134231277 @default.
- W1964715669 cites W2160813520 @default.
- W1964715669 cites W2312309152 @default.
- W1964715669 cites W2403419892 @default.
- W1964715669 cites W2949327190 @default.
- W1964715669 cites W2949936055 @default.
- W1964715669 cites W3004944295 @default.
- W1964715669 cites W3107879085 @default.
- W1964715669 cites W3122816504 @default.
- W1964715669 cites W3137286541 @default.
- W1964715669 doi "https://doi.org/10.1021/ic970896h" @default.
- W1964715669 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/11670338" @default.
- W1964715669 hasPublicationYear "1998" @default.
- W1964715669 type Work @default.
- W1964715669 sameAs 1964715669 @default.
- W1964715669 citedByCount "43" @default.
- W1964715669 countsByYear W19647156692012 @default.
- W1964715669 countsByYear W19647156692013 @default.
- W1964715669 countsByYear W19647156692016 @default.
- W1964715669 countsByYear W19647156692020 @default.
- W1964715669 crossrefType "journal-article" @default.
- W1964715669 hasAuthorship W1964715669A5038188328 @default.
- W1964715669 hasAuthorship W1964715669A5048052919 @default.
- W1964715669 hasAuthorship W1964715669A5052371425 @default.
- W1964715669 hasConcept C121332964 @default.
- W1964715669 hasConcept C147597530 @default.
- W1964715669 hasConcept C147789679 @default.
- W1964715669 hasConcept C152365726 @default.
- W1964715669 hasConcept C155647269 @default.
- W1964715669 hasConcept C161790260 @default.
- W1964715669 hasConcept C178790620 @default.
- W1964715669 hasConcept C179104552 @default.
- W1964715669 hasConcept C185592680 @default.
- W1964715669 hasConcept C2778597550 @default.
- W1964715669 hasConcept C2778695967 @default.
- W1964715669 hasConcept C3288061 @default.
- W1964715669 hasConcept C511782168 @default.
- W1964715669 hasConcept C540031477 @default.