MassKinetics ProjectlMassKinetics project file for the protonated methyl-amin-methyl(d3)-amin system using low- pressure ion source (JEOL instrumental setup) (CH3NH2)(CD3NH2)H+ paralell dissociation products: A: CD3NH3+ ion + CH3NH2 neutral E0=Eb=1.1665 e V B: CH3NH3+ ion + CD3NH2 neutral E0=Eb=1.1720 eV molecular ion frequencies: 1049, 1069, 1538, 1781 cm-1 Transition state frequencies for pathway A: 149, 169, 638, 881 cm-1 -> lgA=15.451 pathway B: 157, 169, 638, 881 cm-1 -> lgA=15.428 reaction coordinate for both pathways: 624 cm-1 Masses: M+=66, F1(A)=35, F2(B)=32 Internal energy of M+= 450K Kinetic energy of M+= 2900eV Internal energy of F+=1eV Kinetic energy of F+=100eV KER degrees of freedom: 3 Field Free Flight flight lenght: 2.5m Collision Cell flight lenght: 1.5m modelling parameters: Internal energy change: 1% Kinetic energy change:1% Maximum Internal Energy: 2eV Number of energy bins: 5000 Threshold: 1E-19 Frequency bin:1cm-1 lp lp d-C6? lp lp ??????????MassKinetics Project|B?x?p'/@(~BbCC-SEmSE]EkdEdE6C:\home\jucus\munka\karcsi\aminok\homepage\CH3NH3+.txt?      Y@                        PERT!?                        x@            x@            t Fragment Bp x?p Undefined                              PERT!?                        x@            x@            t Fragment Cp x?p Undefined                              PERT!?                        x@            x@            t Fragment Dp x?p Undefined                              PERT!?                        x@            x@            t Fragment Ep Dl?Dl?xDl?-D+:BgE)Dp'/@(~BbCC-An?n?xn?-Dν~BgE@2Dp'/@(~BbCC-BxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtM->CxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtM->DxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtM->ExD@gBHDHDDDBDDCCBp Undefinedp UndefinedtA->MxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtA->BxD@gBHDHDDDBDDCCBpߊCGDCxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtA->DxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtA->ExD@gBHDHDDDBDDCCBp Undefinedp UndefinedtB->MxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtB->AxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtB->CxD@gBHDHDDDBDDCCBpSEmSE]EkdEdE6C:\home\jucus\munka\karcsi\aminok\homepage\CH3NH3+.txtp UndefinedtB->DxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtB->ExD@gBHDHDDDBDDCCBp Undefinedp UndefinedtC->MxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtC->AxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtC->BxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtC->DxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtC->ExD@gBHDHDDDBDDCCBp Undefinedp UndefinedtD->MxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtD->AxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtD->BxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtD->CxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtD->ExD@gBHDHDDDBDDCCBp Undefinedp UndefinedtE->MxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtE->AxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtE->BxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtE->CxD@gBHDHDDDBDDCCBp Undefinedp UndefinedtE->D Undefinedp Undefined??@-C6:??ҶOɃ;t MassKinetics ProjectPr@h      @l:0yE>?