"DE - Spolkov\u00E1 republika N\u011Bmecko" . "Rozpad neutr\u00E1ln\u00EDho, jednou a dvojn\u00E1sobn\u011B protonovan\u00E9ho benzochinonu v plynn\u00E9 f\u00E1zi"@cs . "Decomposition of neutral, singly, and doubly protonated benzoquinone in the gas phase"@en . . "[688465364EE8]" . . . "Decomposition of neutral, singly, and doubly protonated benzoquinone in the gas phase" . . "The unimolecular fragmentationas of singly and doubly protonated ortho-, meta-, and para-benzoqionones (BQH+ and BQH22+, resp.) are studied by tandem mass spectrometry. The dominant fragmentation pathwazs lead to the elimination of a neutral CO molecule from BQH+ and, by charge separation, to the expulsion of protonated CO from BQH22+. Reaction mechanisms are elucidated based on labeling experiments and UB3LYP calculations. These results reveal that the respective reactions proceed in an analogous fashion to the decarbonylation of neutral benzoquinones, which decompose into carbon monoxide and cyclopentadienone. Single protonation facilitates all steps on the reaction pathway with neutral CO and O-protonated cyclopentadienone as final products." . "0947-6539" . . . "The unimolecular fragmentationas of singly and doubly protonated ortho-, meta-, and para-benzoqionones (BQH+ and BQH22+, resp.) are studied by tandem mass spectrometry. The dominant fragmentation pathwazs lead to the elimination of a neutral CO molecule from BQH+ and, by charge separation, to the expulsion of protonated CO from BQH22+. Reaction mechanisms are elucidated based on labeling experiments and UB3LYP calculations. These results reveal that the respective reactions proceed in an analogous fashion to the decarbonylation of neutral benzoquinones, which decompose into carbon monoxide and cyclopentadienone. Single protonation facilitates all steps on the reaction pathway with neutral CO and O-protonated cyclopentadienone as final products."@en . . . "RIV/61388955:_____/05:00000627!RIV06-AV0-61388955" . "RIV/61388955:_____/05:00000627" . . "13" . "Schr\u00F6der, D." . . "Unimolekul\u00E1tn\u00ED fragmentace jednou a dvojn\u00E1sobn\u011B protonovan\u00E9ho ortho-, meta- a para-benzochinonu (BQH+ a BQH22+) jsou studov\u00E1ny pomoc\u00ED tandemov\u00E9 hmotnostn\u00ED spektrometrie. Hlavn\u00ED fragmenta\u010Dn\u00ED cesty vedou k eliminaci molekuly CO z BQH+ a vyra\u017Een\u00ED protonovan\u00E9ho CO z BQH2+. Reak\u010Dn\u00ED mechanismy jsou objasn\u011Bny pomoc\u00ED isotopick\u00E9ho zna\u010Den\u00ED a B3LYP v\u00FDpo\u010Dt\u016F. V\u00FDsledky ukazuj\u00ED, \u017Ee dan\u00E9 reakce prob\u00EDhaj\u00ED analogick\u00FDm zp\u016Fsobem jako dekarbonylace neutr\u00E1ln\u00EDch benzochinon\u016F, kter\u00E9 vedou k cyklopentadienon\u016Fm. Jednon\u00E1sobn\u00E1 protonace vede k usnadn\u011Bn\u00ED v\u0161ech krok\u016F na reak\u010Dn\u00ED cest\u011B, p\u0159i\u010Dem\u017E vznik\u00E1 CO a O-protonovan\u00FD cyklopentadienon. Oproti tomu dvojn\u00E1sobn\u00E1 protonace vede k op\u011Btovn\u00E9mu zv\u00FD\u0161en\u00ED v\u0161ech bari\u00E9r a tvo\u0159\u00ED se COH+ a O-protonovan\u00FD cyklopentadienon. Tento hlavn\u00ED proces fragmentace BQH22+ je doprovozen dv\u011Bmi minoritn\u00EDmi kan\u00E1ly, kter\u00E9 vedou k eliminaci neutr\u00E1ln\u00EDho oxidu uhelnat\u00E9ho a vody. Protonov\u00E1 affinita para-BQH+ je odhadnuta jako 2.9 \u00B1 0.3 eV."@cs . "Chemistry European Journal" . "3"^^ . "Rozpad neutr\u00E1ln\u00EDho, jednou a dvojn\u00E1sobn\u011B protonovan\u00E9ho benzochinonu v plynn\u00E9 f\u00E1zi"@cs . . "Roithov\u00E1, Jana" . "11" . . . "11"^^ . "Decomposition of neutral, singly, and doubly protonated benzoquinone in the gas phase" . "1"^^ . "Z(AV0Z40400503)" . . "Schwarz, H." . . "628;638" . "517060" . "density functional calculation; dications; electron-deficient compounds; protonation"@en . . "Decomposition of neutral, singly, and doubly protonated benzoquinone in the gas phase"@en .