Matches in SemOpenAlex for { <https://semopenalex.org/work/W2137583676> ?p ?o ?g. }
- W2137583676 endingPage "881" @default.
- W2137583676 startingPage "872" @default.
- W2137583676 abstract "Abstract In spite of the great importance of the Phillips catalyst in commercial polyethylene production and long‐term research efforts, the initiation mechanism of polymerization still remains unclear. The effect of formaldehyde desorption on the active site transformation during the induction period of the Phillips catalyst is investigated over cluster models by using DFT. No reaction can be initiated over the cluster model coordinated with two formaldehyde molecules, owing to steric hindrance and electronic donation. The first reaction over cluster models, on which either one or no formaldehyde molecule is adsorbed, follows the metallacyclic mechanism into chromacyclopentane. Subsequent dimerization to 1‐butene and metathesis to propylene and ethylene are more favorable over the cluster model adsorbed with one formaldehyde molecule. Only after a complete desorption of formaldehyde does further ring expansion to chromacycloheptane followed by 1‐hexene formation become preferential. Spin state crossing from quintet diethylene–Cr II complex to triplet chromacyclopentane with a spin acceleration effect is revealed." @default.
- W2137583676 created "2016-06-24" @default.
- W2137583676 creator A5014129248 @default.
- W2137583676 creator A5016123064 @default.
- W2137583676 creator A5021804682 @default.
- W2137583676 creator A5030403821 @default.
- W2137583676 creator A5041807862 @default.
- W2137583676 creator A5042151909 @default.
- W2137583676 creator A5060094505 @default.
- W2137583676 creator A5075733083 @default.
- W2137583676 date "2012-03-16" @default.
- W2137583676 modified "2023-10-18" @default.
- W2137583676 title "Active Site Transformation During the Induction Period of Ethylene Polymerization over the Phillips CrOx/SiO2 Catalyst" @default.
- W2137583676 cites W1482594041 @default.
- W2137583676 cites W1621500924 @default.
- W2137583676 cites W1972991755 @default.
- W2137583676 cites W1974618533 @default.
- W2137583676 cites W1975966202 @default.
- W2137583676 cites W1978019031 @default.
- W2137583676 cites W1985938793 @default.
- W2137583676 cites W1986711839 @default.
- W2137583676 cites W1990442032 @default.
- W2137583676 cites W1999887307 @default.
- W2137583676 cites W2003162132 @default.
- W2137583676 cites W2003222418 @default.
- W2137583676 cites W2009911625 @default.
- W2137583676 cites W2010276664 @default.
- W2137583676 cites W2011426169 @default.
- W2137583676 cites W2011505408 @default.
- W2137583676 cites W2018220705 @default.
- W2137583676 cites W2020634287 @default.
- W2137583676 cites W2021668838 @default.
- W2137583676 cites W2023271753 @default.
- W2137583676 cites W2040127726 @default.
- W2137583676 cites W2041195383 @default.
- W2137583676 cites W2041597535 @default.
- W2137583676 cites W2041690828 @default.
- W2137583676 cites W2041753261 @default.
- W2137583676 cites W2053327817 @default.
- W2137583676 cites W2054235406 @default.
- W2137583676 cites W2055474646 @default.
- W2137583676 cites W2056471736 @default.
- W2137583676 cites W2060997234 @default.
- W2137583676 cites W2067516428 @default.
- W2137583676 cites W2068617439 @default.
- W2137583676 cites W2078160492 @default.
- W2137583676 cites W2079874348 @default.
- W2137583676 cites W2087031882 @default.
- W2137583676 cites W2087155243 @default.
- W2137583676 cites W2091843420 @default.
- W2137583676 cites W2093465439 @default.
- W2137583676 cites W2101683564 @default.
- W2137583676 cites W2105499411 @default.
- W2137583676 cites W2118336371 @default.
- W2137583676 cites W2123265733 @default.
- W2137583676 cites W2125343585 @default.
- W2137583676 cites W2130474569 @default.
- W2137583676 cites W2134882351 @default.
- W2137583676 cites W2143981217 @default.
- W2137583676 cites W2331932663 @default.
- W2137583676 doi "https://doi.org/10.1002/cctc.201100278" @default.
- W2137583676 hasPublicationYear "2012" @default.
- W2137583676 type Work @default.
- W2137583676 sameAs 2137583676 @default.
- W2137583676 citedByCount "27" @default.
- W2137583676 countsByYear W21375836762012 @default.
- W2137583676 countsByYear W21375836762013 @default.
- W2137583676 countsByYear W21375836762014 @default.
- W2137583676 countsByYear W21375836762015 @default.
- W2137583676 countsByYear W21375836762016 @default.
- W2137583676 countsByYear W21375836762017 @default.
- W2137583676 countsByYear W21375836762018 @default.
- W2137583676 countsByYear W21375836762019 @default.
- W2137583676 countsByYear W21375836762020 @default.
- W2137583676 countsByYear W21375836762021 @default.
- W2137583676 crossrefType "journal-article" @default.
- W2137583676 hasAuthorship W2137583676A5014129248 @default.
- W2137583676 hasAuthorship W2137583676A5016123064 @default.
- W2137583676 hasAuthorship W2137583676A5021804682 @default.
- W2137583676 hasAuthorship W2137583676A5030403821 @default.
- W2137583676 hasAuthorship W2137583676A5041807862 @default.
- W2137583676 hasAuthorship W2137583676A5042151909 @default.
- W2137583676 hasAuthorship W2137583676A5060094505 @default.
- W2137583676 hasAuthorship W2137583676A5075733083 @default.
- W2137583676 hasConcept C147789679 @default.
- W2137583676 hasConcept C150394285 @default.
- W2137583676 hasConcept C161790260 @default.
- W2137583676 hasConcept C162711632 @default.
- W2137583676 hasConcept C178790620 @default.
- W2137583676 hasConcept C185592680 @default.
- W2137583676 hasConcept C188027245 @default.
- W2137583676 hasConcept C201194858 @default.
- W2137583676 hasConcept C2775930285 @default.
- W2137583676 hasConcept C2778597550 @default.
- W2137583676 hasConcept C2779751980 @default.
- W2137583676 hasConcept C44228677 @default.
- W2137583676 hasConcept C521977710 @default.
- W2137583676 hasConcept C54175244 @default.