2002
DOI: 10.1021/jp025590x
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Near Threshold Photochemistry of Propanal. Barrier Height, Transition State Structure, and Product State Distributions for the HCO Channel

Abstract: The photodissociation dynamics of propanal have been investigated at photolysis wavelengths between 300 and 327 nm. The threshold for production of HCO fragments was found to be 326.26 nm, which corresponds to 30645 cm-1 (366.6 kJ mol-1) above the zero-point of the S 0 state. From known thermochemical data, this threshold lies 25.0 ± 3.6 kJ mol-1 above the bond dissociation energy. The nascent HCO rotational and translational energy distributions were determined following dissociation at threshold. The rotatio… Show more

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Cited by 25 publications
(29 citation statements)
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“…However, the role of photo-tautomerization of other carbonyls has not been explored. For example, the known photochemistry of propanal 49 , 50 and acetone 51 53 is broadly similar to AC, with similar tautomerization barrier heights 54 . We might therefore expect photo-tautomerization efficiencies to be broadly similar in these carbonyls under atmospheric conditions.…”
Section: Resultsmentioning
confidence: 97%
“…However, the role of photo-tautomerization of other carbonyls has not been explored. For example, the known photochemistry of propanal 49 , 50 and acetone 51 53 is broadly similar to AC, with similar tautomerization barrier heights 54 . We might therefore expect photo-tautomerization efficiencies to be broadly similar in these carbonyls under atmospheric conditions.…”
Section: Resultsmentioning
confidence: 97%
“…31 Kable and co-workers have recently explored the photodissociation dynamics of the radical channel in a molecular beam. Studies at 309.1 nm 32,33 and dissociation threshold 34 have enabled several key thermodynamic values to be determined following analysis of the translational and rotational energy distributions. The threshold for HCO production is found to occur at 30 645 cm À1 (366.6 kJ mol À1 ) and the reverse barrier for dissociation on the T 1 surface was determined to be 25.0 AE 3.6 kJ mol À1 .…”
Section: Introductionmentioning
confidence: 99%
“…There is evidence that process B can occur either in the ground state or in the triplet state. 16 Previous studies on the photochemistry of aliphatic aldehydes at atmospherically relevant photolysis wavelengths focused on gasphase photodissociation [16][17][18][19][20][21][22][23][24][25][26][27][28][29][30] and its pressure dependence. [31][32][33][34][35] Photolysis of aldehydes in a condensed matter environment, found for example in atmospheric aerosols, cloud and fog droplets, and in thin films formed on urban surfaces has not been systematically investigated.…”
Section: Introductionmentioning
confidence: 99%