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pentacarbonylhydridorhenium

vr.tr.pentacarbonylhydridorhenium · thing-q7164927

Enable an agent to recognise pentacarbonylhydridorhenium, assess a sample's identity and condition, and determine whether evidence supports its intended handling or chemical use.

Thing Registry Physical world and living systems PHY.MAT

Bundle → Layer → Finding → Questions Filled

6 bundles · 11 layers · 16 findings · 26 questions

Hydride carbonyl identity Establish what counts as the registered HRe(CO)5 substance.

Molecular boundary

Define the ligand inventory and molecular boundary required for identity.

Parent complex assignment

Require evidence for the intact mononuclear pentacarbonyl hydride.

  1. What evidence establishes one Re centre, five CO ligands and a metal-bound hydride in the species being modelled? definition
  2. Which changes in charge, carbonyl count or nuclearity require linking to a different substance model? boundary

Registry and isotope mapping

Align chemical names and external identifiers while retaining isotope distinctions.

Identifier equivalence

Verify that external records refer to the target molecule rather than a related carbonyl or formulation.

  1. Which CAS, PubChem and EC records explicitly identify HRe(CO)5, and which supporting records were checked? provenance
  2. How should DRe(CO)5 or carbonyl-isotope-labelled samples be represented without silently equating their measured properties with those of the unlabelled material? boundary
Analytical identity and purity Determine whether analytical observations support the target assignment and quantify competing species.

Complementary spectroscopy

Combine hydride-sensitive and carbonyl-sensitive observations.

Spectral assignment

Record reference-supported NMR and IR assignments with their measurement conditions.

  1. Which 1H NMR resonance supports the Re-H assignment, and what reference, solvent and temperature were used? measurement
  2. Which carbonyl IR bands support intact HRe(CO)5, and how are overlapping bands from related rhenium carbonyls excluded? measurement

Sample composition

Separate molecular identification from quantitative purity and solution composition.

Route-linked impurities

Use preparation history to identify candidate impurities, then confirm their presence analytically.

  1. Which precursors, residual reagents and rhenium carbonyl by-products are plausible from this sample's documented preparation? provenance
  2. What validated method quantifies HRe(CO)5 and relevant impurities, including species not resolved by the principal assay? measurement
Physical state and persistence Record the conditions under which a sample's phase, concentration and molecular identity remain established.

Phase and transport properties

Attach physical-property values to a defined material state and measurement method.

Conditioned property values

Distinguish phase changes and volatility measurements from chemical decomposition.

  1. What phase is directly observed at the recorded temperature and pressure, and is the material neat or dissolved? measurement
  2. Which melting, boiling, sublimation or vapour-pressure measurements are available, and do they demonstrate intact HRe(CO)5 rather than decomposition? measurement

Exposure and ageing

Relate sample history to evidence of retained or changed chemical identity.

Integrity under storage

Establish storage limits from documented observations rather than assumed metal-carbonyl behaviour.

  1. What evidence establishes the effects of light, temperature, oxygen, moisture and solvent on this sample's integrity? provenance
  2. What analytical change or elapsed-time criterion requires reassaying the sample before use? action
Hydrogen and carbonyl reactivity Represent transformations according to the bond changes and species actually demonstrated.

Hydrogen transfer pathways

Distinguish acidity from other modes of hydrogen transfer.

Transfer mode evidence

Require reaction-specific evidence before assigning proton, hydrogen-atom or hydride donation.

  1. Which measurements establish proton transfer involving HRe(CO)5 and [Re(CO)5]-, including solvent and equilibrium conventions? measurement
  2. For a proposed hydrogen-transfer reaction, what evidence identifies the transferred species and supports the intended outcome? action

Ligand loss and product boundaries

Track carbonyl substitution, carbonyl loss and changes in nuclearity as transformations.

Transformation assignment

Separate demonstrated products from proposed intermediates and computational predictions.

  1. Under the specified conditions, what evidence supports CO loss, ligand substitution or formation of a polynuclear rhenium species? provenance
  2. At what measured conversion should the sample be described as a mixture or linked to a product model rather than treated as intact HRe(CO)5? boundary
Handling and regulatory evidence Connect the actual carbonyl-hydride sample to supported handling constraints and applicable records.

Substance-specific hazard basis

Establish which classifications and exposure guidance actually apply to HRe(CO)5.

Hazard record applicability

Retain the provenance and scope of each safety assertion.

  1. Which current SDS or authoritative assessment covers this exact substance, and what classification does it support in the relevant jurisdiction? provenance
  2. Are reported exposure limits specific to HRe(CO)5, broader rhenium categories, carbon monoxide or the solvent, and where is evidence absent? boundary

Operation and waste constraints

Evaluate proposed handling using sample composition and documented transformation hazards.

Condition-specific controls

Connect operational controls to supported hazards of the material and its possible products.

  1. Does evidence for the proposed heating, irradiation or chemical treatment establish CO release or other hazardous products, and what controls follow? action
  2. Which documented containment, storage and waste route applies to this rhenium-containing sample at its actual concentration and solvent composition? action
Evidence and external alignment What the world already says about this thing, gathered so the model can be checked against it.

Reported evidence

Findings from the breadth pass, kept separate from the structural claims.

Check these first

Recalled without web access and unsourced; every item is a lead to verify.

  1. Which of these check these first hold for the sense of pentacarbonylhydridorhenium this model covers, and on what evidence? provenance

Identifiers and schemes

Recalled without web access and unsourced; every item is a lead to verify.

  1. Which of these identifiers and schemes hold for the sense of pentacarbonylhydridorhenium this model covers, and on what evidence? provenance

Real-world use

Recalled without web access and unsourced; every item is a lead to verify.

  1. Which of these real-world use hold for the sense of pentacarbonylhydridorhenium this model covers, and on what evidence? provenance

Typical measurements

Recalled without web access and unsourced; every item is a lead to verify.

  1. Which of these typical measurements hold for the sense of pentacarbonylhydridorhenium this model covers, and on what evidence? provenance

Failure modes and hazards

Recalled without web access and unsourced; every item is a lead to verify.

  1. Which of these failure modes and hazards hold for the sense of pentacarbonylhydridorhenium this model covers, and on what evidence? provenance

Neighbouring kinds and how to tell them apart

Recalled without web access and unsourced; every item is a lead to verify.

  1. Which of these neighbouring kinds and how to tell them apart hold for the sense of pentacarbonylhydridorhenium this model covers, and on what evidence? provenance

Classifiers Filled

Family
Thing Registry
Category
Physical world and living systems
Entry kind
thing
Plane
PHY
Domain
PHY.MAT

What it is Filled

Pentacarbonylhydridorhenium, HRe(CO)5, is a neutral organometallic rhenium(I) complex containing one hydrido ligand and five carbon monoxide ligands in an approximately octahedral coordination arrangement.

In scope

  • Identity of the mononuclear rhenium complex containing one hydride and five carbonyl ligands
  • Evidence distinguishing intact HRe(CO)5 from related rhenium carbonyl species
  • Purity, concentration, solvent, isotopic composition and synthesis-derived impurities
  • Physical state, measured properties and stability under specified conditions
  • Chemical transformations and substance-specific safety evidence

Out of scope

  • Dirhenium decacarbonyl and other rhenium carbonyl compounds as independent substances
  • Complete synthesis procedures and reaction equipment
  • Commercial formulations, packaging and supplier products as separate entities
  • Supported rhenium catalysts and their catalytic performance
  • General rhenium toxicology or carbon monoxide hazards without an explicit applicability assessment

Why it exists Filled

Enable an agent to recognise pentacarbonylhydridorhenium, assess a sample's identity and condition, and determine whether evidence supports its intended handling or chemical use.

Distinguishing features Filled

  • Establish one rhenium centre, five CO ligands and one metal-bound hydrogen; HRe(CO)5 is the hydride identified in the primary literature. [Inorganic Syntheses, volume 28](https://sites.lsa.umich.edu/jbuss/wp-content/uploads/sites/811/2020/08/inorganic-synthesis28.pdf)
  • Require evidence for metal-bound hydride to distinguish the target from halopentacarbonylrhenium precursors and the pentacarbonylrhenate anion.
  • Resolve mononuclear hydride from Re2(CO)10 and polynuclear hydride carbonyls using complementary composition and spectroscopic evidence.
  • Distinguish the five-carbonyl parent from species formed after carbonyl loss; lower-carbonyl hydrides are treated separately in the primary literature. [Diverse Roles of Hydrogen in Rhenium Carbonyl Chemistry](https://pubs.acs.org/doi/10.1021/jp103267v)

What robots and AI may and may not do Filled

Must not

  • Open or handle it outside a controlled laboratory setting.
  • Heat or decompose it where carbon monoxide can reach people.
  • Dispose of it in drains or ordinary waste.
  • Assume an old sample still has its stated identity.

Only with a human decision

  • Disposal of a sample.
  • Use of a sample outside its documented purpose.

May

  • Identify the rhenium hydride complex from labels, identifiers and analytical data.
  • Record the storage condition and integrity of a sample for its keeper.
  • Report its documented hazards from the supplier's safety data sheet.

Moral aspects Filled

  • Metal carbonyls can release carbon monoxide, an invisible hazard to staff.
  • Accurate records protect the research that uses them.

Who is affected

  • Laboratory staff
  • Researchers using the results

Owners Filled

Steward

The laboratory or organization that holds the sample.

Links to other meta-models Filled

parent

  • Q11173 - registry parent class

What else AI and robots need to interact with it Filled

Identity and identifiers required Filled

  • Vercy registry: vr.tr.pentacarbonylhydridorhenium
  • Wikidata: Q7164927 (https://www.wikidata.org/wiki/Q7164927)

Direct properties required Filled

  • Molecular and coordination identity: HRe(CO)5; record charge, hydride assignment and carbonyl count
  • External identifier mapping: Verified CAS, PubChem and EC records, each with source and identity match
  • Hydride resonance: 1H NMR chemical shift in ppm, with reference, solvent, temperature and integration
  • Carbonyl stretching signature: IR band positions in cm^-1, with intensities, phase and acquisition conditions
  • Assay and impurity profile: Mass fraction or molar fraction; named analytes, method and detection limits
  • Solution composition: HRe(CO)5 concentration in mol/L, solvent identity and uncertainty
  • Physical state and transition properties: Observed phase at temperature in K and pressure in Pa; transitions recorded separately
  • Chemical integrity: Intact, mixed, transformed or unverified, with analytical evidence and timestamp
  • Acidity and hydrogen-transfer behaviour: Solvent-specific pKa or defined reaction thermodynamic and kinetic quantities
  • Hazard and regulatory evidence: Substance-specific SDS, jurisdiction, revision date, classification and documented evidence gaps

Recognition required Filled

  • Identity rests on the container label and analysis, not appearance.
  • Stored sealed under inert conditions; a broken seal suggests degradation.

Capabilities and actions required Filled

  • Match an observed sample to HRe(CO)5 using hydride and carbonyl evidence.
  • Compare sample purity and concentration with requirements for a specified experiment.
  • Track whether storage or exposure has changed the rhenium carbonyl species present.
  • Evaluate a proposed transformation using evidence for the relevant hydrogen-transfer or ligand-change pathway.
  • Select documented handling and waste controls appropriate to the actual sample and its solvent.

Hazards and failure modes required Filled

  • Decomposition can release toxic carbon monoxide.
  • Sensitivity to air and light can degrade samples.
  • Contact or inhalation harm to staff.

Standards and interfaces required Filled

  • Globally Harmonized System of Classification and Labelling of Chemicals (GHS), United Nations.

Context of use required Filled

  • Pentacarbonylhydridorhenium is encountered in specialist organometallic chemistry research as a rhenium carbonyl hydride complex.
  • It is used to investigate metal-hydrogen bonding, carbonyl coordination and the reactivity of transition-metal hydrides.

Sources Filled

  1. Wikidata item Q7164927: pentacarbonylhydridorhenium - identity and sense of the item
  2. Wikipedia: Pentacarbonylhydridorhenium - general description of the item

Open questions

  • Which CAS, PubChem and EC identifiers are independently verified for this exact molecular identity?
  • What primary experimental references establish diagnostic hydride NMR and carbonyl IR values under comparable conditions?
  • Which phase-transition, volatility and solubility measurements describe intact material, and which observations involve decomposition?
  • What measured stability limits apply across storage temperature, illumination, atmosphere and solvent?
  • What substance-specific toxicology, GHS classification and exposure guidance exist, and which proposed handling restrictions remain unsupported?

Machine files

Provenance

thing registry research (pass 2) · unreviewed

Built from: models/things/publications/thing-q7164927/spec.json