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Quantifying the Eff...
Quantifying the Effect of Guest Binding on Host Environment
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- Ryan, Hugh P. (författare)
- University Of Cambridge
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- Fishman, Zachary S. (författare)
- National Institute of Standards and Technology (NIST)
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- Pawlik, Jacob T (författare)
- National Institute of Standards and Technology (NIST)
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- Grommet, Angela Beth, 1991 (författare)
- University Of Cambridge
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- Musial, Malgorzata (författare)
- National Institute of Standards and Technology (NIST)
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- Rizzuto, Felix (författare)
- University Of Cambridge
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- Booth, James C (författare)
- National Institute of Standards and Technology (NIST)
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- Long, Christian J (författare)
- National Institute of Standards and Technology (NIST)
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- Schwarz, Kathleen (författare)
- National Institute of Standards and Technology (NIST)
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- Orloff, Nathan D (författare)
- National Institute of Standards and Technology (NIST)
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- Nitschke, Jonathan R. (författare)
- University Of Cambridge
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- Stelson, Angela C (författare)
- National Institute of Standards and Technology (NIST)
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(creator_code:org_t)
- 2023
- 2023
- Engelska.
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Ingår i: Journal of the American Chemical Society. - 1520-5126 .- 0002-7863. ; 145:36, s. 19533-19541
- Relaterad länk:
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https://doi.org/10.1...
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https://research.cha...
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Abstract
Ämnesord
Stäng
- The environment around a host-guest complex is defined by intermolecular interactions between the complex, solvent molecules, and counterions. These interactions govern both the solubility of these complexes and the rates of reactions occurring within the host molecules and can be critical to catalytic and separation applications of host-guest systems. However, these interactions are challenging to detect using standard analytical chemistry techniques. Here, we quantify the hydration and ion pairing of a FeII4L4 coordination cage with a set of guest molecules having widely varying physicochemical properties. The impact of guest properties on host ion pairing and hydration was determined through microwave microfluidic measurements paired with principal component analysis (PCA). This analysis showed that introducing guest molecules into solution displaced counterions that were bound to the cage, and that the solvent solubility of the guest has the greatest impact on the solvent and ion-pairing dynamics surrounding the host. Specifically, we found that when we performed PCA of the measured equivalent circuit parameters and the solubility and dipole moment, we observed a high (>90%) explained variance for the first two principal components for each circuit parameter. We also observed that cage-counterion pairing is well-described by a single ion-pairing type, with a one-step reaction model independent of the type of cargo, and that the ion-pairing association constant is reduced for cargo with higher water solubility. Quantifying hydration and cage-counterion interactions is a critical step to building the next generation of design criteria for host-guest chemistries.
Ämnesord
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
- TEKNIK OCH TEKNOLOGIER -- Elektroteknik och elektronik -- Annan elektroteknik och elektronik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Electrical Engineering, Electronic Engineering, Information Engineering -- Other Electrical Engineering, Electronic Engineering, Information Engineering (hsv//eng)
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- ref (ämneskategori)
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Till lärosätets databas
- Av författaren/redakt...
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Ryan, Hugh P.
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Fishman, Zachary ...
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Pawlik, Jacob T
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Grommet, Angela ...
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Musial, Malgorza ...
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Rizzuto, Felix
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visa fler...
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Booth, James C
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Long, Christian ...
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Schwarz, Kathlee ...
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Orloff, Nathan D
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Nitschke, Jonath ...
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Stelson, Angela ...
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visa färre...
- Om ämnet
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- NATURVETENSKAP
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NATURVETENSKAP
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och Kemi
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och Fysikalisk kemi
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- TEKNIK OCH TEKNOLOGIER
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TEKNIK OCH TEKNO ...
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och Elektroteknik oc ...
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och Annan elektrotek ...
- Artiklar i publikationen
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Journal of the A ...
- Av lärosätet
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Chalmers tekniska högskola