Studies of reactions involving C2Hx+ ions with HCN using a modified selected ion flow tube

Mackay, G. I.; Vlachos, G. D.; Böhme, Diethard K.; Schiff, H. I.

doi:10.1016/0020-7381(80)85059-5

Cited by 169 publications

(109 citation statements)

References 9 publications

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“…The ICP ion source and interface have been described previously, 4,5 as has the basic SIFT instrument. 6,7 Helium was used as the SIFT buffer gas at 0.35 ( 0.01 Torr. The flow tube temperature was 296 ( 2 K. The selected Ru + ions that entered the flow tube were allowed to thermalize by collisions with He (ca.…”

Section: Experimental Methodsmentioning

confidence: 99%

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Effect of Spin-Surface Crossing on the Kinetics of Sequential Ligation of Ru⁺ with Ammonia in the Gas Phase at Room Temperature

et al. 2001

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Gas-phase measurements of the kinetics for the sequential ligation of Ru + with ammonia at room temperature show an anomalous rise in the rate of addition of the fourth ammonia ligand unlike in the ammonia-ligation kinetics of Mg + , Fe + , and Ag + . The measurements were conducted with an inductively-coupled plasma/ selected-ion flow tube (ICP/SIFT) tandem mass spectrometer. B3LYP/ DZVP calculations of ligation free energies for the ammonia ligation of ground-state Ru + ( 4 F) and of Ru + ( 2 D) indicate a reversal in the relative ligation free energy that favors the ligation of Ru + ( 2 D) in the addition of the fourth ammonia ligand. Since the rate of ligation is dependent on the free energy of ligation, these results are consistent with the occurrence of a spin surface-crossing in the sequential ligation of Ru + ( 4 F) with ammonia.

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Section: Experimental Methodsmentioning

confidence: 99%

“…6,7 Higher-order rate coefficients were deduced from a fit to the observed ammonia cluster-ion profiles with solutions to the differential equations appropriate to sequential ligation kinetics.…”

Section: Experimental Methodsmentioning

confidence: 99%

Effect of Spin-Surface Crossing on the Kinetics of Sequential Ligation of Ru⁺ with Ammonia in the Gas Phase at Room Temperature

et al. 2001

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“…The results reported here were obtained using a selected-ion flow tube (SIFT) apparatus which has been described previously [13,14]. All measurements were performed at a helium buffer-gas temperature of 294 Ϯ 3 K and pressure of 0.35 Ϯ 0.01 Torr.…”

Section: Methodsmentioning

confidence: 99%

Coordination chemistry of Fe+, (c-C5H5)Fe+, and (c-C5H5)2Fe+ in the gas phase at room temperature: kinetics of sequential ligation with hydrogen cyanide and cyanoacetylene

Baranov

Böhme

2001

International Journal of Mass Spectrometry

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“…Measurements of rate coefficients and equilibrium constants were performed with the SIFT technique in the Ion Chemistry Laboratory at York University [7][8][9]. In studies of reactions 1 and 2, SiF 4 H ϩ was established upstream in the flow tube by the following sequence of ion-molecule reactions: …”

Section: Methodsmentioning

confidence: 99%

Experimental and theoretical studies of the basicity and proton affinity of SiF₄ and the structure of SiF₄H⁺

Ling

Milburn

Hopkinson

et al. 1999

J. Am. Soc. Mass Spectrom.

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A combined experimental and theoretical approach has been employed to establish the basicity and proton affinity of SiF 4 and the structure of SiF 4 H ϩ . The kinetics and energetics for the transfer of a proton between SiF 4 , N 2 , and Xe have been explored experimentally in helium at 0.35 Ϯ 0.02 torr and 297 Ϯ 3 K with a selected-ion flow tube apparatus. The results of equilibrium constant measurements are reported that provide a basicity and proton affinity for SiF 4 at 297 Ϯ 3 K of 111.4 Ϯ 1.0 and 117.7 Ϯ 1.2 kcal mol Ϫ1 , respectively. These values are more than 2.5 kcal mol Ϫ1 lower than currently recommended values. The basicity order was determined to be GB(Xe) Ͼ GB(SiF 4 ) Ͼ GB(N 2 ), while the proton-affinity order was shown to be PA(Xe) Ͼ PA(N 2 ) Ͼ PA (SiF 4 ). Ab initio molecular orbital computations at MP4SDTQ(fc)/ 6-311ϩϩG(3df,3pd) using geometries from B3LYP/6-31ϩG(d,p) indicate a value for PA(SiF 4 ) ϭ 118.7 kcal mol Ϫ1 that is in good agreement with experiment. Also, the most stable structure of SiF 4 H ϩ is shown to correspond to a core SiF 3 ϩ cation solvated by HF with a binding energy of 43.9 kcal mol Ϫ1 . Support for this structure is found in separate SIFT collision induced dissociation (CID) measurements that indicate exclusive loss of HF. (J Am Soc Mass Spectrom 1999, 10, 848 -855)

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Studies of reactions involving C2Hx+ ions with HCN using a modified selected ion flow tube

Cited by 169 publications

References 9 publications

Effect of Spin-Surface Crossing on the Kinetics of Sequential Ligation of Ru⁺ with Ammonia in the Gas Phase at Room Temperature

Effect of Spin-Surface Crossing on the Kinetics of Sequential Ligation of Ru⁺ with Ammonia in the Gas Phase at Room Temperature

Coordination chemistry of Fe+, (c-C5H5)Fe+, and (c-C5H5)2Fe+ in the gas phase at room temperature: kinetics of sequential ligation with hydrogen cyanide and cyanoacetylene

Experimental and theoretical studies of the basicity and proton affinity of SiF₄ and the structure of SiF₄H⁺

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Studies of reactions involving C2Hx+ ions with HCN using a modified selected ion flow tube

Cited by 169 publications

References 9 publications

Effect of Spin-Surface Crossing on the Kinetics of Sequential Ligation of Ru+ with Ammonia in the Gas Phase at Room Temperature

Effect of Spin-Surface Crossing on the Kinetics of Sequential Ligation of Ru+ with Ammonia in the Gas Phase at Room Temperature

Coordination chemistry of Fe+, (c-C5H5)Fe+, and (c-C5H5)2Fe+ in the gas phase at room temperature: kinetics of sequential ligation with hydrogen cyanide and cyanoacetylene

Experimental and theoretical studies of the basicity and proton affinity of SiF4 and the structure of SiF4H+

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Effect of Spin-Surface Crossing on the Kinetics of Sequential Ligation of Ru⁺ with Ammonia in the Gas Phase at Room Temperature

Effect of Spin-Surface Crossing on the Kinetics of Sequential Ligation of Ru⁺ with Ammonia in the Gas Phase at Room Temperature

Experimental and theoretical studies of the basicity and proton affinity of SiF₄ and the structure of SiF₄H⁺