FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2041009422> ?p ?o ?g. }

• W2041009422 endingPage "9566" @default.
• W2041009422 startingPage "9553" @default.
• W2041009422 abstract "We present quantum mechanical wave packet calculations for the vibrational predissociation of cis-CH3ONO in the S1 state including three degrees of freedom—the CH3O–NO dissociation bond, the N=O stretching coordinate, and the CH3O–N–O bending angle. We calculate the autocorrelation function, the absorption spectrum, the lifetimes of the excited complex as a function of the internal excitation, and the final vibrational-rotational state distributions of the NO fragment. The lifetimes and the product state distributions are compared with experimental data as well as with previous results obtained from classical trajectory calculations. The calculated vibrational state distributions of the NO product satisfactorily reproduce the systematic variation with the initially prepared quasibound state of the CH3ONO(S1) complex found experimentally; however, they are considerably narrower than the experimental distributions. The theoretical rotational state distributions of NO, all being highly inverted and having the overall shape of a Gaussian, agree well with the experimental data; this is the case for several quasibound vibrational states of CH3ONO(S1) as well as several final vibrational states of the NO product. In general, the classical trajectory calculations parallel the quantum mechanical results. The existing differences have to be attributed to the inability of the purely classical treatment in reproducing subtle quantum effects if the dissociation proceeds through a relatively long-lived complex. While the calculations yield satisfactory agreement with the experimental NO state distributions including the envelope of the absorption spectrum, they disagree with the experiment in that the resonance widths are about one order of magnitude narrower than in the measured spectrum. Additional calculations for which the torsional angle of NO with respect to the intermolecular dissociation vector R is approximately taken into account as a fourth coordinate reveals that dephasing by out-of-plane motion can explain most of this discrepancy." @default.
• W2041009422 created "2016-06-24" @default.
• W2041009422 creator A5007578670 @default.
• W2041009422 creator A5037495108 @default.
• W2041009422 creator A5057960044 @default.
• W2041009422 creator A5062326435 @default.
• W2041009422 date "1993-12-15" @default.
• W2041009422 modified "2023-10-05" @default.
• W2041009422 title "The vibrational predissociation of <i>cis</i>-methyl nitrite in the <i>S</i>1 state: A comparison of exact quantum mechanical wave packet calculations with classical trajectory calculations and detailed experimental results" @default.
• W2041009422 cites W1972290042 @default.
• W2041009422 cites W1979478307 @default.
• W2041009422 cites W1981618780 @default.
• W2041009422 cites W1988394133 @default.
• W2041009422 cites W1993851377 @default.
• W2041009422 cites W1996904108 @default.
• W2041009422 cites W2003014939 @default.
• W2041009422 cites W2003601070 @default.
• W2041009422 cites W2004193354 @default.
• W2041009422 cites W2005172728 @default.
• W2041009422 cites W2005315955 @default.
• W2041009422 cites W2012674481 @default.
• W2041009422 cites W2013463440 @default.
• W2041009422 cites W2016100245 @default.
• W2041009422 cites W2021489622 @default.
• W2041009422 cites W2027031516 @default.
• W2041009422 cites W2027162983 @default.
• W2041009422 cites W2031387242 @default.
• W2041009422 cites W2033184258 @default.
• W2041009422 cites W2033336421 @default.
• W2041009422 cites W2033406958 @default.
• W2041009422 cites W2033603152 @default.
• W2041009422 cites W2034573618 @default.
• W2041009422 cites W2037062704 @default.
• W2041009422 cites W2040942875 @default.
• W2041009422 cites W2044645919 @default.
• W2041009422 cites W2046980051 @default.
• W2041009422 cites W2052372639 @default.
• W2041009422 cites W2060099578 @default.
• W2041009422 cites W2060723166 @default.
• W2041009422 cites W2061716734 @default.
• W2041009422 cites W2063923303 @default.
• W2041009422 cites W2065032571 @default.
• W2041009422 cites W2066022486 @default.
• W2041009422 cites W2076966408 @default.
• W2041009422 cites W2107216528 @default.
• W2041009422 cites W2145926643 @default.
• W2041009422 cites W2147279041 @default.
• W2041009422 cites W2155642920 @default.
• W2041009422 doi "https://doi.org/10.1063/1.465489" @default.
• W2041009422 hasPublicationYear "1993" @default.
• W2041009422 type Work @default.
• W2041009422 sameAs 2041009422 @default.
• W2041009422 citedByCount "63" @default.
• W2041009422 countsByYear W20410094222012 @default.
• W2041009422 countsByYear W20410094222014 @default.
• W2041009422 crossrefType "journal-article" @default.
• W2041009422 hasAuthorship W2041009422A5007578670 @default.
• W2041009422 hasAuthorship W2041009422A5037495108 @default.
• W2041009422 hasAuthorship W2041009422A5057960044 @default.
• W2041009422 hasAuthorship W2041009422A5062326435 @default.
• W2041009422 hasConcept C102931765 @default.
• W2041009422 hasConcept C106978608 @default.
• W2041009422 hasConcept C113603373 @default.
• W2041009422 hasConcept C121332964 @default.
• W2041009422 hasConcept C147789679 @default.
• W2041009422 hasConcept C181500209 @default.
• W2041009422 hasConcept C184779094 @default.
• W2041009422 hasConcept C185592680 @default.
• W2041009422 hasConcept C62520636 @default.
• W2041009422 hasConcept C84114770 @default.
• W2041009422 hasConcept C84662259 @default.
• W2041009422 hasConceptScore W2041009422C102931765 @default.
• W2041009422 hasConceptScore W2041009422C106978608 @default.
• W2041009422 hasConceptScore W2041009422C113603373 @default.
• W2041009422 hasConceptScore W2041009422C121332964 @default.
• W2041009422 hasConceptScore W2041009422C147789679 @default.
• W2041009422 hasConceptScore W2041009422C181500209 @default.
• W2041009422 hasConceptScore W2041009422C184779094 @default.
• W2041009422 hasConceptScore W2041009422C185592680 @default.
• W2041009422 hasConceptScore W2041009422C62520636 @default.
• W2041009422 hasConceptScore W2041009422C84114770 @default.
• W2041009422 hasConceptScore W2041009422C84662259 @default.
• W2041009422 hasIssue "12" @default.
• W2041009422 hasLocation W20410094221 @default.
• W2041009422 hasOpenAccess W2041009422 @default.
• W2041009422 hasPrimaryLocation W20410094221 @default.
• W2041009422 hasRelatedWork W1973227600 @default.
• W2041009422 hasRelatedWork W1975110563 @default.
• W2041009422 hasRelatedWork W1987704273 @default.
• W2041009422 hasRelatedWork W1988058445 @default.
• W2041009422 hasRelatedWork W2006046998 @default.
• W2041009422 hasRelatedWork W2010428635 @default.
• W2041009422 hasRelatedWork W2051681773 @default.
• W2041009422 hasRelatedWork W2076286083 @default.
• W2041009422 hasRelatedWork W2095109121 @default.
• W2041009422 hasRelatedWork W2242351234 @default.
• W2041009422 hasVolume "99" @default.
• W2041009422 isParatext "false" @default.

• next