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Record W2024671462 · doi:10.1021/jp9079487

Gas-Phase Reactions of Atomic Lanthanide Cations with Ammonia: Room-Temperature Kinetics and Periodicity in Reactivity

2009· article· en· W2024671462 on OpenAlexaff
Gregory K. Koyanagi, Ping Cheng, Diethard K. Böhme

Bibliographic record

VenueThe Journal of Physical Chemistry A · 2009
Typearticle
Languageen
FieldChemistry
TopicMass Spectrometry Techniques and Applications
Canadian institutionsYork University
Fundersnot available
KeywordsLanthanideChemistryLanthanumProtonationIonReactivity (psychology)Excited stateInorganic chemistryPhysical chemistryAnalytical Chemistry (journal)Atomic physics

Abstract

fetched live from OpenAlex

Reactions of (14) atomic lanthanide cations (excluding Pm(+)) with ammonia have been surveyed in the gas phase by using an inductively coupled plasma/selected-ion flow tube (ICP/SIFT) tandem mass spectrometer to measure rate coefficients and product distributions in He at 0.35 +/- 0.01 Torr and 295 +/- 2 K. Primary reaction channels were observed corresponding to H(2) elimination with formation of the protonated lanthanum nitride and NH(3) addition. H(2) elimination was seen only in the reactions with La(+), Ce(+), Gd(+), and Tb(+) and occurs with these ions exclusively. NH(3) addition was seen with Pr(+), Nd(+), Sm(+), Eu(+), Dy(+), Ho(+), Er(+), Tm(+), Yb(+), and Lu(+). Higher-order sequential addition of up to five NH(3) molecules was observed with the Ln(+)(NH(3)) and LnNH(+) ions. The reaction efficiency of the primary reactions is seen to decrease as the energy required to promote an electron to make two non-f electrons available for bonding increases. The periodic trend in reaction efficiency along the lanthanide series matches quite closely the periodic trend in the electron-promotion energy required to achieve a d(1)s(1) or d(2) excited electronic configuration in the lanthanide cation. With La(+), Ce(+), Gd(+), and Tb(+), the electrostatic attraction between the atomic lanthanide cation and ammonia is sufficiently strong to provide enough energy to achieve electron promotion and to overcome any barriers to subsequent N-H bond insertion and H(2) loss, but this is not the case with the other lanthanide cations with which collisional stabilization of the intermediate adduct ion, with or without insertion of Ln(+), predominates.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.003
Threshold uncertainty score0.324

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.007
GPT teacher head0.262
Teacher spread0.255 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations40
Published2009
Admission routes1
Has abstractyes

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