FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2313448440> ?p ?o ?g. }

• W2313448440 endingPage "8970" @default.
• W2313448440 startingPage "8963" @default.
• W2313448440 abstract "The rate constants for the reactions of C2(X1Σg+) with H2 and D2 have been investigated experimentally and theoretically to assess the statistical theory of the reaction and to reveal the mechanism of the reaction. The ground-state C2 radicals were generated by multiphoton laser-photolysis of C2Cl4 at 248 nm and were probed by a laser-induced fluorescence method using the Mulliken system (D1Σu+−X1Σg+). Rate constants have been measured to be k[C2(X)+H2] = 5.6 × 10−11 exp[−9.1 (kJ mol−1)/RT] and k[C2(X)+D2] = 3.2 × 10−11 exp[−9.9 (kJ mol−1)/RT] cm3 molecule−1 s−1 in the temperature range 293−395 K and at total pressure around 10 Torr (He buffer). Quantum chemical calculations at the MRCI level revealed that the reaction predominantly proceeds via a collinear direct-abstraction transition state. The measured rate constants as well as the kinetic isotope effect were well reproduced by the transition-state theory based on the MRCISD+Q/aug-cc-pV5Z calculations, provided that the anharmonic bending vibrations of the transition states were properly treated. The effect of the Davidson correction was found to be significant for the potential energy surface around the early transition state." @default.
• W2313448440 created "2016-06-24" @default.
• W2313448440 creator A5048351377 @default.
• W2313448440 creator A5069386080 @default.
• W2313448440 creator A5091635916 @default.
• W2313448440 date "2009-07-14" @default.
• W2313448440 modified "2023-10-18" @default.
• W2313448440 title "Mechanism and Kinetic Isotope Effect of the Reaction of C₂(X¹Σ_g⁺) Radicals with H₂ and D₂" @default.
• W2313448440 cites W139321869 @default.
• W2313448440 cites W1556334824 @default.
• W2313448440 cites W1647787420 @default.
• W2313448440 cites W1971404102 @default.
• W2313448440 cites W1972732237 @default.
• W2313448440 cites W1973520253 @default.
• W2313448440 cites W1981356721 @default.
• W2313448440 cites W1994111676 @default.
• W2313448440 cites W1994372519 @default.
• W2313448440 cites W1995938712 @default.
• W2313448440 cites W2010291286 @default.
• W2313448440 cites W2011155245 @default.
• W2313448440 cites W2013199655 @default.
• W2313448440 cites W2019359336 @default.
• W2313448440 cites W2020227823 @default.
• W2313448440 cites W2033876873 @default.
• W2313448440 cites W2034095398 @default.
• W2313448440 cites W2035196826 @default.
• W2313448440 cites W2041536373 @default.
• W2313448440 cites W2046832202 @default.
• W2313448440 cites W2048047169 @default.
• W2313448440 cites W2051855040 @default.
• W2313448440 cites W2063868565 @default.
• W2313448440 cites W2068049500 @default.
• W2313448440 cites W2072406607 @default.
• W2313448440 cites W2072411508 @default.
• W2313448440 cites W2075730114 @default.
• W2313448440 cites W2079845647 @default.
• W2313448440 cites W2080404794 @default.
• W2313448440 cites W2086505034 @default.
• W2313448440 cites W2089567159 @default.
• W2313448440 cites W2091493611 @default.
• W2313448440 cites W2091745182 @default.
• W2313448440 cites W2093440510 @default.
• W2313448440 cites W2094837945 @default.
• W2313448440 cites W2161446993 @default.
• W2313448440 cites W2321066345 @default.
• W2313448440 cites W2323738451 @default.
• W2313448440 cites W3093296597 @default.
• W2313448440 cites W4232971918 @default.
• W2313448440 doi "https://doi.org/10.1021/jp904165s" @default.
• W2313448440 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19719304" @default.
• W2313448440 hasPublicationYear "2009" @default.
• W2313448440 type Work @default.
• W2313448440 sameAs 2313448440 @default.
• W2313448440 citedByCount "8" @default.
• W2313448440 countsByYear W23134484402014 @default.
• W2313448440 countsByYear W23134484402018 @default.
• W2313448440 countsByYear W23134484402020 @default.
• W2313448440 crossrefType "journal-article" @default.
• W2313448440 hasAuthorship W2313448440A5048351377 @default.
• W2313448440 hasAuthorship W2313448440A5069386080 @default.
• W2313448440 hasAuthorship W2313448440A5091635916 @default.
• W2313448440 hasConcept C113196181 @default.
• W2313448440 hasConcept C121332964 @default.
• W2313448440 hasConcept C125277925 @default.
• W2313448440 hasConcept C135889238 @default.
• W2313448440 hasConcept C139066938 @default.
• W2313448440 hasConcept C147724859 @default.
• W2313448440 hasConcept C147789679 @default.
• W2313448440 hasConcept C148898269 @default.
• W2313448440 hasConcept C161790260 @default.
• W2313448440 hasConcept C178790620 @default.
• W2313448440 hasConcept C184779094 @default.
• W2313448440 hasConcept C185592680 @default.
• W2313448440 hasConcept C32909587 @default.
• W2313448440 hasConcept C36663273 @default.
• W2313448440 hasConcept C43617362 @default.
• W2313448440 hasConcept C54582936 @default.
• W2313448440 hasConcept C55493867 @default.
• W2313448440 hasConcept C57476982 @default.
• W2313448440 hasConcept C58364064 @default.
• W2313448440 hasConcept C62520636 @default.
• W2313448440 hasConcept C69523127 @default.
• W2313448440 hasConcept C69928629 @default.
• W2313448440 hasConcept C75473681 @default.
• W2313448440 hasConcept C89031862 @default.
• W2313448440 hasConcept C93391505 @default.
• W2313448440 hasConceptScore W2313448440C113196181 @default.
• W2313448440 hasConceptScore W2313448440C121332964 @default.
• W2313448440 hasConceptScore W2313448440C125277925 @default.
• W2313448440 hasConceptScore W2313448440C135889238 @default.
• W2313448440 hasConceptScore W2313448440C139066938 @default.
• W2313448440 hasConceptScore W2313448440C147724859 @default.
• W2313448440 hasConceptScore W2313448440C147789679 @default.
• W2313448440 hasConceptScore W2313448440C148898269 @default.
• W2313448440 hasConceptScore W2313448440C161790260 @default.
• W2313448440 hasConceptScore W2313448440C178790620 @default.
• W2313448440 hasConceptScore W2313448440C184779094 @default.
• W2313448440 hasConceptScore W2313448440C185592680 @default.

• next