Gas-phase metal ion ligation: Collision-induced dissociation of Fe(H2O)x+ and Fe(CH4)x+ (x = 1-4)

Richard H. Schultz, P. B. Armentrout

Research output: Contribution to journalArticlepeer-review

113 Scopus citations


Guided-ion beam mass spectrometry is used to study the collision-induced dissociation (CID) of Fe(H2O)x+ and Fe(CH4)x+ ions, x = 1-4. Ions are produced in a flow tube source to ensure thermalization. By measuring the CID thresholds, we obtain the following 0 K bond dissociation energies (BDEs) for Fe(H2O)x+ clusters: D°0[Fe+-(H2O)] = 30.6 ± 1.2 kcal/mol, D°0[(H2O)Fe+-(H2O)] = 39.3 ± 1.0 kcal/mol, D°0[(H2O)2Fe+-(H2O)] = 18.2 ± 0.9 kcal/mol, and D°0[(H2O)3Fe+-(H2O)] = 19.6 ± 1.2 kcal/mol. Our values for x = 1 and 2 are compared to and contrasted with prior literature measurements and calculations. We also report the first measurements of the BDEs for Fe(CH4)x+ clusters, x = 1-4, obtaining the following 0 K values: D°0[Fe+-(CH4)] = 13.7 ± 0.8 kcal/mol, D°0[(CH4)Fe+-(CH4)] = 23.3 ± 1.0 kcal/mol, D°0[(CH4)2Fe+-(CH4)] = 23.6 ± 1.4 kcal/mol, and D°0[(CH4)2Fe+-(CH4)] = 17.6 ± 1.4 kcal/mol. The most surprising observation here is that D°0[(CH4)2Fe+-(CH4)] exceeds D°0[(H2O)2Fe+-(H2O)]. This result and other trends in these BDEs are discussed by examining FeLx+ bonding in terms of the nature of the ligand and the electronic structure of the ion.

Original languageEnglish
Pages (from-to)596-603
Number of pages8
JournalJournal of Physical Chemistry
Issue number3
StatePublished - 1993
Externally publishedYes


Dive into the research topics of 'Gas-phase metal ion ligation: Collision-induced dissociation of Fe(H2O)x+ and Fe(CH4)x+ (x = 1-4)'. Together they form a unique fingerprint.

Cite this