Threshold collisional activation of FeC2H6+: Fe+·ethane vs Fe+·dimethyl structures

Richard H. Schultz; P. B. Armentrout

doi:10.1021/j100183a031

Threshold collisional activation of FeC₂H₆⁺: Fe⁺·ethane vs Fe⁺·dimethyl structures

Richard H. Schultz, P. B. Armentrout

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Abstract

Threshold collisional activation (TCA) of FeC₂H₆⁺ is studied in a guided-ion beam mass spectrometer. Parent ions are formed by reaction of Fe⁺ with either ethane or acetone in a flow tube ion source which ensures their thermalization. We present evidence that ions formed in the two ways have different structures corresponding to Fe⁺-ethane and Fe⁺-dimethyl, respectively. We determine D°₀(Fe⁺-C₂H₆) = 15.3 ± 1.4 kcal/mol and D°₀(CH₃Fe⁺-CH₃) = 43.1 ± 2.6 kcal/mol and that Fe(C₂H₆)⁺ is more stable than Fe(CH₃)₂⁺ by 3.5 ± 1.7 kcal/mol. These experimental values are compared with those from a recent theoretical calculation. The utility of TCA as a probe of thermochemistry and the structure of transition metal-alkane and -dialkyl species is assessed.

Original language	English
Pages (from-to)	1662-1667
Number of pages	6
Journal	Journal of Physical Chemistry
Volume	96
Issue number	4
DOIs	https://doi.org/10.1021/j100183a031
State	Published - 1992
Externally published	Yes

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abstract = "Threshold collisional activation (TCA) of FeC2H6+ is studied in a guided-ion beam mass spectrometer. Parent ions are formed by reaction of Fe+ with either ethane or acetone in a flow tube ion source which ensures their thermalization. We present evidence that ions formed in the two ways have different structures corresponding to Fe+-ethane and Fe+-dimethyl, respectively. We determine D°0(Fe+-C2H6) = 15.3 ± 1.4 kcal/mol and D°0(CH3Fe+-CH3) = 43.1 ± 2.6 kcal/mol and that Fe(C2H6)+ is more stable than Fe(CH3)2+ by 3.5 ± 1.7 kcal/mol. These experimental values are compared with those from a recent theoretical calculation. The utility of TCA as a probe of thermochemistry and the structure of transition metal-alkane and -dialkyl species is assessed.",

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T1 - Threshold collisional activation of FeC2H6+

T2 - Fe+·ethane vs Fe+·dimethyl structures

AU - Schultz, Richard H.

AU - Armentrout, P. B.

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N2 - Threshold collisional activation (TCA) of FeC2H6+ is studied in a guided-ion beam mass spectrometer. Parent ions are formed by reaction of Fe+ with either ethane or acetone in a flow tube ion source which ensures their thermalization. We present evidence that ions formed in the two ways have different structures corresponding to Fe+-ethane and Fe+-dimethyl, respectively. We determine D°0(Fe+-C2H6) = 15.3 ± 1.4 kcal/mol and D°0(CH3Fe+-CH3) = 43.1 ± 2.6 kcal/mol and that Fe(C2H6)+ is more stable than Fe(CH3)2+ by 3.5 ± 1.7 kcal/mol. These experimental values are compared with those from a recent theoretical calculation. The utility of TCA as a probe of thermochemistry and the structure of transition metal-alkane and -dialkyl species is assessed.

AB - Threshold collisional activation (TCA) of FeC2H6+ is studied in a guided-ion beam mass spectrometer. Parent ions are formed by reaction of Fe+ with either ethane or acetone in a flow tube ion source which ensures their thermalization. We present evidence that ions formed in the two ways have different structures corresponding to Fe+-ethane and Fe+-dimethyl, respectively. We determine D°0(Fe+-C2H6) = 15.3 ± 1.4 kcal/mol and D°0(CH3Fe+-CH3) = 43.1 ± 2.6 kcal/mol and that Fe(C2H6)+ is more stable than Fe(CH3)2+ by 3.5 ± 1.7 kcal/mol. These experimental values are compared with those from a recent theoretical calculation. The utility of TCA as a probe of thermochemistry and the structure of transition metal-alkane and -dialkyl species is assessed.

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Threshold collisional activation of FeC₂H₆⁺: Fe⁺·ethane vs Fe⁺·dimethyl structures

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