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We have studied the thermochemistry of the resonantly stabilized radicals, C 6 H 5 CH 2 and CH 2 CHCH 2 and their corresponding cations and anions. A flowing afterglow/selected ion flow tube instrument has been used to measure the rates of reaction: C 6 H 5 CH 3 + CH 3 O - C 6 H 5 CH -2 +...
The kinetic method is applied to order the relative affinities of a group of substituted pyridines towards PC1 +2 and to seek relationships with the affinities towards other cations. The absolute affinities are estimated with the aid of AM1 molecular orbital calculations while the PCl +2 affinity of pyridine itself is also estimated by ab initio calculations at MP2/6-31G(d,p)//6-31G(d,p)...
The appearance energy of the α-C protonated 6-oxafulvalene, C 5 H 5 CO + , generated from the fragmentation of ionized (CO) 3 MnC 5 H 4 CHO (estimated ΔH 0f of neutral complex -602 ± 5 kJ mol -1 ) gave a value of 705 ± 30 kJ mol -1 for its heat of formation. Further dissociation of this species by the loss of CO...
The reactions of Pd + with CH 4 , C 2 H 6 , C 3 H 8 , and c-C 3 H 6 have been studied using guided ion beam mass spectrometry. It is found that elimination of CH 4 and H 2 are the dominant processes at low energies in the c-C 3 H 8 reaction system, whereas only dehydrogenation is important in the c-C ...
Ab initio molecular orbital calculations at the G2 level have been used to calculate several thermochemical properties of the third-row hydrides GeH 4 , AsH 3 , SeH 2 and HBr. The heats of formation at 0 K and 298 K were calculated for these hydrides, for the anions GeH -3 , AsH -2 , SeH - and Br - , and for the corresponding free...
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