Fitting Metal Carbonyls into a 30-Ångstrom Pore: Is It Possible?

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Discussion Overview

The discussion centers on the feasibility of fitting specific metal carbonyls, namely iron pentacarbonyl, methylcyclopentadienyl-manganese-tricarbonyl, and dicobalt octacarbonyl, into a pore measuring 29-34 angstroms. Participants explore the sizes of these molecules and the implications for their accommodation within the specified dimensions.

Discussion Character

  • Exploratory
  • Technical explanation
  • Debate/contested

Main Points Raised

  • One participant inquires about the sizes of the metal carbonyls and references a 1977 paper for potential data, suggesting that the Co-Co and Co-CO distances could imply a maximum diameter of 6.5 angstroms.
  • Another participant asserts that all mentioned molecules should easily fit into a 30-angstrom pore, estimating that they could fit into boxes of 7x7x7 Å.
  • A question is raised regarding the size of the "door" to the pore, implying that access may be a concern despite the pore size.
  • Reiteration of the previous points suggests confidence in the ability of the bulky methylcyclopentadienyl group to fit, as it measures about 5 Å from end-to-end.

Areas of Agreement / Disagreement

While some participants express confidence that the carbonyls will fit within the pore, the discussion includes questions about the access to the pore and the exact measurements of the molecules, indicating that multiple views remain regarding the feasibility of fitting the carbonyls.

Contextual Notes

Participants reference various sources for molecular size data, including crystal structure databases and quantum-chemical calculations, but there is no consensus on the exact measurements or implications of those measurements for fitting the molecules into the pore.

Who May Find This Useful

This discussion may be of interest to researchers and students in chemistry, materials science, and related fields who are exploring molecular fitting in porous materials or studying metal carbonyl compounds.

TPie
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What is the size of iron pentacarbonyl, methylcyclopentadienyl-manganese-tricarbonyl, or dicobalt octacarbonyl? Where could I find a source on this information?

I am aiming to fit the above carbonyls into a 29-34 angstrom pore, but I'd like to know if it's even possible given the size of the molecules.

Wikipedia offers numbers based on a paper published in Inorganic Chemistry in 1977. The Co-Co distances is 2.5 angstroms and the Co-CO appears to be in the area of 1.8 angstroms. Does simple math tell me the diameter is no greater than 6.5 angstroms? How does the size of the atoms come into play?

Thank you in advance!
 
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Crystal structure database, experimental data from papers, a quantum-chemical calculation, or even a ball-and-stick model.. Depending on how accurate you want it. (not very it'd seem).

But I can say offhand that all those molecules should easily fit into a 30-Ångstrom pore.

6.5 isn't a bad guess. In fact, I'd wager they'd all fit into boxes of 7x7x7 Å.

Even the bulky methylcyclopentadienyl group is only about 5 Å from end-to-end (and it's flat).
 
30 Angstroms is a big pore... but how big is the door?
 
alxm said:
Crystal structure database, experimental data from papers, a quantum-chemical calculation, or even a ball-and-stick model.. Depending on how accurate you want it. (not very it'd seem).

But I can say offhand that all those molecules should easily fit into a 30-Ångstrom pore.

6.5 isn't a bad guess. In fact, I'd wager they'd all fit into boxes of 7x7x7 Å.

Even the bulky methylcyclopentadienyl group is only about 5 Å from end-to-end (and it's flat).

Great. Thank you for the information.
 

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