MétaCan
Menu
Back to cohort
Record W4310939967 · doi:10.1021/jacs.2c10931

Ambient Temperature Carbene-Mediated Depolymerization: Stoichiometric and Catalytic Reactions of <i>N</i>-Heterocyclic- and Cyclic(Alkyl)Amino Carbenes with Poly(<i>N</i>-Methylaminoborane) [MeNH–BH<sub>2</sub>]<sub><i>n</i></sub>

2022· article· en· W4310939967 on OpenAlexafffund
Nicola L. Oldroyd, Saurabh S. Chitnis, Etienne A. LaPierre, Vincent T. Annibale, Henry T. G. Walsgrove, Derek P. Gates, Ian Manners

Bibliographic record

VenueJournal of the American Chemical Society · 2022
Typearticle
Languageen
FieldMaterials Science
TopicHydrogen Storage and Materials
Canadian institutionsUniversity of British ColumbiaUniversity of Victoria
FundersH2020 Marie Skłodowska-Curie ActionsEngineering and Physical Sciences Research CouncilNatural Sciences and Engineering Research Council of CanadaGovernment of Canada
KeywordsChemistryCarbeneDepolymerizationCatalysisStoichiometryAlkylPolymer chemistryOrganic chemistryMedicinal chemistryPhotochemistry

Abstract

fetched live from OpenAlex

The reactions of the N-heterocyclic carbenes (NHCs) IDipp and ItBu and the cyclic(alkyl)amino carbene (CAAC) CAACMe with polyaminoborane [MeNH–BH2]n were investigated. Stoichiometric quantities of each carbene were found to cause rapid and complete depolymerization, with the major B–N-containing product identified as the NHC-aminoborane adduct, IDipp–BH2NMeH (1), cyclic borazane [MeNH–BH2]3, or borazine [MeNBH]3 with IDipp, ItBu, and CAACMe, respectively. With substoichiometric quantities of IDipp and ItBu (down to 10 and 2.5 mol %, respectively), complete loss of high molar mass material was also detected, indicating that the depolymerization is catalytic. The main products of the reaction with substoichiometric IDipp were IDipp–BH2NMeH (1) and [MeNH–BH2]3 and with substoichiometric ItBu, [MeNH–BH2]3, and [MeNBH]3 with product ratios dependent on the quantity of NHC used. Under analogous conditions with CAACMe, high molar mass material persisted alongside the formation of [MeNBH]3. Further reactivity studies with cyclic borazane [MeNH–BH2]3 and MeNH2·BH3 provided insights into depolymerization pathways. IDipp showed no reactivity toward [MeNH–BH2]3, whereas with 3 equiv of ItBu and CAACMe, the dehydrogenation product [MeNBH]3, was formed. With MeNH2·BH3, 2 equiv of carbene were used as the first acts to accept dihydrogen; the major products with IDipp, ItBu, and CAACMe were IDipp–BH2NMeH (1), [MeNBH]3, and (CAACMeH)HB═NMeH (2), respectively. The double E–H (E = B, N) bond activation product (CAACMeH)HB═NMe(HCAACMe) (3) was isolated from the reaction between 3 equiv of CAACMe and MeNH2·BH3. A unified mechanism for donor-mediated depolymerization of [MeHN–BH2]n is proposed.

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)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
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 score0.002
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.002
Science and technology studies0.0000.001
Scholarly communication0.0000.000
Open science0.0010.000
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 head0.006
GPT teacher head0.208
Teacher spread0.203 · 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.

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

Citations12
Published2022
Admission routes2
Has abstractyes

Explore more

Same venueJournal of the American Chemical SocietySame topicHydrogen Storage and MaterialsFrench-language works237,207