* photolytic reaction and their associated label and product * ---------------------------------------------------------- * * this file is read up to the keyword END. * Comment line (* as first character) can be placed * everywhere in the file. * * - first column : gives the formula of the species (must start at the * character of the line * - second column : is the label associated to the reaction (must be an * integer) * - third and fourth : are the chemical formula of the major * fragmentation product (i.e. the radical product if any). A 'space * character' must be inserted between '|' and the beginning of the * formula * - fifth : gives the coproduct of the reaction. If no * coproduct, then use '-'. The coproduct must be given using the name * (i.e. the 6 character name) of the species, not the formula. ****************************************************************************************************** CH3(ONO2) | 100 | CH3(O.) | NO2 | - CH3CH2(ONO2) | 200 | CH3CH2(O.) | NO2 | - CH3CH2CH2(ONO2) | 300 | CH3CH2CH2(O.) | NO2 | - CH3CH(ONO2)CH3 | 400 | CH3CH(O.)CH3 | NO2 | - CH3CH2CH2CH2(ONO2) | 500 | CH3CH2CH2CH2(O.) | NO2 | - CH3CH(ONO2)CH2CH3 | 600 | CH3CH(O.)CH2CH3 | NO2 | - CH3C(ONO2)(CH3)CH3 | 700 | CH3C(O.)(CH3)CH3 | NO2 | - CH3CH2CH2CH2CH2(ONO2) | 800 | CH3CH2CH2CH2CH2(O.) | NO2 | - CH3CH(ONO2)CH2CH2CH3 | 900 | CH3CH(O.)CH2CH2CH3 | NO2 | - CH3CH2CH(ONO2)CH2CH3 | 1000 | CH3CH2CH(O.)CH2CH3 | NO2 | - CH3CH2CH(CH3)CH2(ONO2) | 1100 | CH3CH2CH(CH3)CH2(O.) | NO2 | - CH3(OONO2) | 1200 | CH3(OO.) | NO2 | - CH3(OONO2) | 1300 | CH3(O.) | NO3 | - CH3CO(OONO2) | 1400 | CH3CO(OO.) | NO2 | - CH3CHO | 1700 | CH3. | CHO. | - CH3CH2CHO | 1800 | CH3CH2. | CHO. | - CH3CH2CH2CHO | 1900 | CH3CH2CH2. | CHO. | - CH3CH2CH2CHO | 2000 | CdH2=CdH2 | CH3CHO | - CH3CH(CH3)CHO | 2100 | CH3CH.CH3 | CHO. | - CH3CH2CH2CH2CHO | 2300 | CH3CH2CH2CH2. | CHO. | - CH3CH2CH2CH2CHO | 2400 | CH3CHO | CdH2=CdHCH3 | - CH3CH(CH3)CH2CHO | 2500 | CH3CH(CH3)CH2. | CHO. | - CH3CH(CH3)CH2CHO | 2600 | CH3CHO | CdH2=CdHCH3 | - CH3C(CH3)(CH3)CH2CHO | 2700 | CHO. | CH3C(CH3)(CH3)CH2. | - CH3CH2CH2CH2CH2CHO | 2800 | CHO. | CH3CH2CH2CH2CH2. | - CH3CH2CH2CH2CH2CHO | 2900 | CH3CHO | CdH2=CdHCH2CH3 | - CH3COCH3 | 3000 | CH3CO. | CH3. | - CH3COCH2CH3 | 3100 | CH3CH2. | CH3CO. | - CH3COCH2CH3 | 3200 | CH3. | CH3CH2CO. | - CH3COCH2CH2CH3 | 3300 | CH3CH2CH2. | CH3CO. | - CH3CH2COCH2CH3 | 3400 | CH3CH2CO. | CH3CH2. | - CH3CH(CH3)COCH(CH3)CH3 | 3500 | CH3CH(CH3)CO. | CH3CH.CH3 | - CH3COCH2CH(CH3)CH3 | 3600 | CH3CO. | CH2.CH(CH3)CH3 | - CH3COCH2CH(CH3)CH3 | 3700 | CH3COCH3 | CdH2=CdHCH3 | - CH3COCH2CH2CH(CH3)CH3 | 3800 | CH3CO. | CH2.CH2CH(CH3)CH3 | - CH3COCH2CH2CH(CH3)CH3 | 3900 | CH3COCH3 | CdH2=Cd(CH3)CH3 | - CdH2=CdHCHO | 4000 | CdH2=CdHCO. | HO2 | - CdH2=CdHCHO | 4100 | CdH2=CdH. | CHO. | - CdH2=CdHCHO | 4200 | CH3CH.(OO.)* | CO | - CdH2=Cd(CH3)CHO | 4300 | CdH2=Cd.CH3 | CHO. | - CdH2=Cd(CH3)CHO | 4400 | CH3C.(OO.)*CH3 | CO | - CdH2=Cd(CH3)CHO | 4500 | CdH2=Cd(CH3)CO. | HO2 | - CH3CdH=CdHCHO | 4600 | CH3CdH=CdH. | CHO. | - CH3CdH=CdHCHO | 4700 | CH3CdH=CdHCO. | HO2 | - CH3CdH=CdHCHO | 4800 | CH3CH2CH.(OO.)* | CO | - CdH2=CdHCOCH3 | 4900 | CdH2=CdHCH3 | CO | - CdH2=CdHCOCH3 | 5000 | CdH2=CdH. | CH3CO. | - CHOCHO | 5100 | H2 | CO | CO CHOCHO | 5200 | CHO. | CHO. | - CHOCHO | 5300 | CH2O | CO | - CH3COCHO | 5400 | CHO. | CH3CO. | - CH3COCHO | 5500 | CO | CH3CHO | - CH3COCHO | 5500 | CO | CH3CHO | - CH3COCHO | 5600 | CO | CO | CH4 CH3COCOCH3 | 5700 | CH3CO. | CH3CO. | - CHOCdH=CdHCdH=CdHCHO | 5800 | CHO. | CdH.=CdHCdH=CdHCHO | - CHOCdH=CdHCdH=CdHCHO | 5900 | CHOCdH=CdHCdH=CdHCO. | HO2 | - CHOCd(CH3)=CdHCdH=CdHCHO | 6100 | CHOCd(CH3)=CdHCdH=CdH. | CHO. | - CHOCd(CH3)=CdHCdH=CdHCHO | 6200 | CHO. | CH3Cd.=CdHCdH=CdHCHO | - CHOCd(CH3)=CdHCdH=CdHCHO | 6300 | CHOCd(CH3)=CdHCdH=CdHCO. | HO2 | - CHOCd(CH3)=CdHCdH=CdHCHO | 6400 | CO.Cd(CH3)=CdHCdH=CdHCHO | HO2 | - CH3CH(ONO2)CH2(ONO2) | 6500 | CH3CH(O.)CH2(ONO2) | NO2 | - CH3CH(ONO2)CH2(ONO2) | 6600 | CH3CH(ONO2)CH2(O.) | NO2 | - CH3CH2CH(ONO2)CH2(ONO2) | 6700 | CH3CH2CH(O.)CH2(ONO2) | NO2 | - CH3CH2CH(ONO2)CH2(ONO2) | 6800 | CH3CH2CH(ONO2)CH2(O.) | NO2 | - CH3CH(ONO2)CH(ONO2)CH3 | 6900 | CH3CH(O.)CH(ONO2)CH3 | NO2 | - CH2(ONO2)CH(ONO2)CdH=CdH2 | 7000 | CH2(ONO2)CH(O.)CdH=CdH2 | NO2 | - CH2(ONO2)CH(ONO2)CdH=CdH2 | 7100 | CH2(O.)CH(ONO2)CdH=CdH2 | NO2 | - CH2(ONO2)CdH=CdHCH2(ONO2) | 7200 | CH2(ONO2)CdH=CdHCH2(O.) | NO2 | - CH3OOH | 7300 | CH3(O.) | HO | - CH2(OH)CHO | 7400 | CH2.(OH) | CHO. | - CH2(OH)CH2(ONO2) | 7500 | CH2(OH)CH2(O.) | NO2 | - CH2(OH)COCH3 | 7600 | CH2.(OH) | CH3CO. | - CH2(OH)(OOH) | 7700 | CH2(O.)(OH) | HO | - CHOCO(OH) | 7800 | CO2 | CH2O | - CHOCO(OH) | 7900 | CO | CO | - CO(OH)CO(OH) | 8000 | CO2 | CHO(OH) | - CO(OH)CO(OH) | 8100 | CO2 | CO | - CH3COCO(OH) | 8200 | CO2 | CH3CHO | - CHOCO(OOH) | 7800 | CHO(OH) | CO2 | - CHOCO(OOH) | 7900 | CO | CO2 | - CO(OONO2)CHO | 5200 | CHO. | CO | NO2 CH3CH(ONO)CH3 | 40000 | CH3CH(O.)CH3 | NO | - CH3COCH2(ONO2) | 40001 | CH3COCH2(O.) | NO2 | - CH3COCH(ONO2)CH3 | 40002 | CH3CH2COCH(O.)CH3 | NO2 | - CH3CH2COCH2(ONO2) | 40003 | CH3COCH2(O.) | NO2 | - END ******************************************************************************************************* label 1-9000 = available data label 9000 - 9999 = data from other species for particular species *CH3COC(ONO2)(CH3)CH3 | 40003 | CH3COC(O.)(CH3)CH3 | NO2 | -