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Record W2064413022 · doi:10.1039/b005687l

Synthesis and properties of iron-group hydrido-cyano complexes trans-[MH(CN)(L)2], M = Fe, Ru or Os, L = diphosphine, and their hydrogen, trifluoroboron and triphenylboron isocyanide derivatives of the type trans-[MH(CNH)(L)2]O3SCF3, trans-[MH(CNBX3)(L)2], X = F or Ph, and trans-[M(H2)(CNBF3)(dppp)2]BF4 [dppp = Ph2P(CH2)3PPh2]

2000· article· en· W2064413022 on OpenAlex
Eliana Rocchini, Pierluigi Rigo, Antonio Mezzetti, Tim Stephan, Robert H. Morris, Alan J. Lough, Cameron E. Forde, Tina P. Fong, Samantha D. Drouin

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueJournal of the Chemical Society Dalton Transactions · 2000
Typearticle
Languageen
FieldMaterials Science
TopicMagnetism in coordination complexes
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsChemistryIsocyanideLigand (biochemistry)ProtonationMedicinal chemistryStereochemistryHydrogen bondTrans effectDihydrogen complexCyanideCrystallographyHydrogenCrystal structureMoleculeHydrideInorganic chemistry

Abstract

fetched live from OpenAlex

Complexes trans-[MH(CN)L2] 1 {L = PPh2(CH2)nPPh2, n = 1 (dppm), 2 (dppe) or 3 (dppp), and PR2CH2CH2PR2, R = Et (depe) or para-tolyl (dtpe), M = Fe (for dppe, depe and dtpe only), Ru or Os} were prepared by displacing with cyanide the halide from trans-[MH(X)L2], X = Br or Cl, or dihydrogen from trans-[Ru(H2)H(dppe)2]BPh4. Systematic trends in the IR and 1H, 31P and 13C NMR and electrochemical properties are noted. The addition of one equivalent of HOTf (HO3SCF3) or [HPPh3]OTf to trans-[MH(CN)L2] 1 with n = 1, 2 or 3 usually produces the hydrogen isocyanide complexes trans-[MH(CNH)L2]OTf 2. The use of 13CN− or C15N− in compounds 1 provides evidence for the MCNH coordination mode over MNCH. Protonation at the M–H bond to give dihydrogen complexes trans-[M(H2)(CN)L2]+ occurs to a small degree for M = Ru, n = 1 or 3, in CH2Cl2 and completely for M = Os, L = depe. The use of HBF4· Et2O results in a variety of products including trans-[MH(CNH)L2]BF42*, trans-[MH(CNBF3)L2] and trans-[M(H2)(CNBF3)L2]+. The dihydrogen ligand in the last compound with M = Ru, L = dppp, is readily replaced by η1-BF4−. Structures of the compounds 2 (M = Ru, L = dppe), trans-[RuH(CNBF3)(dppe)2] and 2* (M = Os, L = dppe) are reported. The CNH ligand is a good hydrogen-bond donor so that NH⋯O or NH⋯F hydrogen bonds with the counter ion are formed. The reaction of BPh4− with the CNH ligand of 2 (M = Ru, L = dppe) produces trans-[Ru(H)(CNBPh3)(dppe)2], the structure of which is reported. Therefore the CNH ligand reacts readily with BX4− (X = F or Ph) to produce CNBX3− ligands and HX.

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.

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)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies, Insufficient payload (model declined to judge)
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 score0.012
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0000.001
Science and technology studies0.0010.003
Scholarly communication0.0000.001
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0010.000

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 head0.020
GPT teacher head0.229
Teacher spread0.209 · 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