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Title: A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor

Abstract

Selective, robust and cost-effective chemical sensors for detecting small volatile-organic compounds (VOCs) have widespread applications in industry, healthcare and environmental monitoring. Here we design a Pt(II) pincer-Type material with selective absorptive and emissive responses to methanol and water. The yellow anhydrous form converts reversibly on a subsecond timescale to a red hydrate in the presence of parts-per-Thousand levels of atmospheric water vapour. Exposure to methanol induces a similarly-rapid and reversible colour change to a blue methanol solvate. Stable smart coatings on glass demonstrate robust switching over 10 4 cycles, and flexible microporous polymer membranes incorporating microcrystals of the complex show identical vapochromic behaviour. The rapid vapochromic response can be rationalised from the crystal structure, and in combination with quantum-chemical modelling, we provide a complete microscopic picture of the switching mechanism. We discuss how this multiscale design approach can be used to obtain new compounds with tailored VOC selectivity and spectral responses.

Authors:
ORCiD logo [1];  [2];  [3];  [2];  [2]; ORCiD logo [2];  [2];  [2];  [4]; ORCiD logo [2];  [2]; ORCiD logo [5]; ORCiD logo [5];  [6];  [2]; ORCiD logo [7];  [2];  [2]; ORCiD logo [2];  [8] more »;  [8]; ORCiD logo [8]; ORCiD logo [3] « less
  1. Univ. of Bath, Bath (United Kingdom); The Cambridge Crystallographic Data Centre, Cambridge (United Kingdom)
  2. Univ. of Bath, Bath (United Kingdom)
  3. Univ. of Bath, Bath (United Kingdom); Rutherford Appleton Lab., Oxfordshire (United Kingdom)
  4. Rutherford Appleton Lab., Oxfordshire (United Kingdom)
  5. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  6. Diamond Light Source, Oxfordshire (United Kingdom)
  7. Univ. of Bath, Bath (United Kingdom); Yonsei Univ., Seoul (Korea)
  8. Univ. of Edinburgh, Edinburgh (United Kingdom)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1417623
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 8; Journal Issue: 1; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Bryant, M. J., Skelton, J. M., Hatcher, L. E., Stubbs, C., Madrid, E., Pallipurath, A. R., Thomas, L. H., Woodall, C. H., Christensen, J., Fuertes, S., Robinson, T. P., Beavers, C. M., Teat, S. J., Warren, M. R., Pradaux-Caggiano, F., Walsh, A., Marken, F., Carbery, D. R., Parker, S. C., McKeown, N. B., Malpass-Evans, R., Carta, M., and Raithby, P. R. A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor. United States: N. p., 2017. Web. doi:10.1038/s41467-017-01941-2.
Bryant, M. J., Skelton, J. M., Hatcher, L. E., Stubbs, C., Madrid, E., Pallipurath, A. R., Thomas, L. H., Woodall, C. H., Christensen, J., Fuertes, S., Robinson, T. P., Beavers, C. M., Teat, S. J., Warren, M. R., Pradaux-Caggiano, F., Walsh, A., Marken, F., Carbery, D. R., Parker, S. C., McKeown, N. B., Malpass-Evans, R., Carta, M., & Raithby, P. R. A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor. United States. doi:10.1038/s41467-017-01941-2.
Bryant, M. J., Skelton, J. M., Hatcher, L. E., Stubbs, C., Madrid, E., Pallipurath, A. R., Thomas, L. H., Woodall, C. H., Christensen, J., Fuertes, S., Robinson, T. P., Beavers, C. M., Teat, S. J., Warren, M. R., Pradaux-Caggiano, F., Walsh, A., Marken, F., Carbery, D. R., Parker, S. C., McKeown, N. B., Malpass-Evans, R., Carta, M., and Raithby, P. R. Mon . "A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor". United States. doi:10.1038/s41467-017-01941-2. https://www.osti.gov/servlets/purl/1417623.
@article{osti_1417623,
title = {A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor},
author = {Bryant, M. J. and Skelton, J. M. and Hatcher, L. E. and Stubbs, C. and Madrid, E. and Pallipurath, A. R. and Thomas, L. H. and Woodall, C. H. and Christensen, J. and Fuertes, S. and Robinson, T. P. and Beavers, C. M. and Teat, S. J. and Warren, M. R. and Pradaux-Caggiano, F. and Walsh, A. and Marken, F. and Carbery, D. R. and Parker, S. C. and McKeown, N. B. and Malpass-Evans, R. and Carta, M. and Raithby, P. R.},
abstractNote = {Selective, robust and cost-effective chemical sensors for detecting small volatile-organic compounds (VOCs) have widespread applications in industry, healthcare and environmental monitoring. Here we design a Pt(II) pincer-Type material with selective absorptive and emissive responses to methanol and water. The yellow anhydrous form converts reversibly on a subsecond timescale to a red hydrate in the presence of parts-per-Thousand levels of atmospheric water vapour. Exposure to methanol induces a similarly-rapid and reversible colour change to a blue methanol solvate. Stable smart coatings on glass demonstrate robust switching over 104 cycles, and flexible microporous polymer membranes incorporating microcrystals of the complex show identical vapochromic behaviour. The rapid vapochromic response can be rationalised from the crystal structure, and in combination with quantum-chemical modelling, we provide a complete microscopic picture of the switching mechanism. We discuss how this multiscale design approach can be used to obtain new compounds with tailored VOC selectivity and spectral responses.},
doi = {10.1038/s41467-017-01941-2},
journal = {Nature Communications},
number = 1,
volume = 8,
place = {United States},
year = {2017},
month = {11}
}

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Cited by: 4 works
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Figures / Tables:

Fig. 1 Fig. 1: Structure and electronic properties of Pt-pincer complexes. a Structure of general Pt-polypyridine pincer complexes with N^C^N (left), N^N^C (centre) and C^N^C (right) pincer ligands. b The valence Pt dxy and dxz orbitals interact strongly with π-type molecular orbitals on the monodentate ancillary ligand (left), while the $d_{z^{2}}$ orbitalsmore » of adjacent molecules can interact in the stacked geometry typically adopted in the solid state (right). c By adjusting the ancillary ligand, the energy of the $d_{z^{2}}$ orbital relative to the highest-occupied molecular orbital (HOMO) can be manipulated, making the optical properties more sensitive to the solid-state stacking« less

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    New C N C Bis-Cyclometalated Platinum(II) Complexes: Synthesis, Structures, and Photophysical Properties
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    “On−Off” Au(I)···Cu(I) Interactions in a Au(NHC) 2 Luminescent Vapochromic Sensor
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    • Strasser, Christoph E.; Catalano, Vincent J.
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    • Journal of the American Chemical Society, Vol. 126, Issue 51
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    Synthesis, Characterization and Photophysics of a New Series of Anionic C,N,C Cyclometalated Platinum Complexes
    journal, November 2007

    • Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier
    • Inorganic Chemistry, Vol. 46, Issue 23
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    Shape-Memory Platinum(II) Complexes: Intelligent Vapor-History Sensor with ON-OFF Switching Function
    journal, December 2015

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    • Chemistry - A European Journal, Vol. 22, Issue 8
    • DOI: 10.1002/chem.201503247

    Effect of the damping function in dispersion corrected density functional theory
    journal, March 2011

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    • Journal of Computational Chemistry, Vol. 32, Issue 7
    • DOI: 10.1002/jcc.21759

    Vapour-Induced Amorphous-Crystalline Transformation of a Luminescent Platinum(II)-Diimine Complex
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    An Efficient Polymer Molecular Sieve for Membrane Gas Separations
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    Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules
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    • Journal of the American Chemical Society, Vol. 126, Issue 6
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    Emissive or Nonemissive? A Theoretical Analysis of the Phosphorescence Efficiencies of Cyclometalated Platinum(II) Complexes
    journal, June 2009

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    • Chemistry - A European Journal, Vol. 15, Issue 29
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    The coordination chemistry of dipyridylbenzene: N-deficient terpyridine or panacea for brightly luminescent metal complexes?
    journal, January 2009

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    Structural and Spectroscopic Studies on Pt···Pt and π−π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries
    journal, June 2004

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    • Journal of the American Chemical Society, Vol. 126, Issue 24
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    Self-Assembly of Luminescent Alkynylplatinum(II) Terpyridyl Complexes: Modulation of Photophysical Properties through Aggregation Behavior
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    QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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    Multi‐Stimuli‐Responsive Properties of Aggregation‐Enhanced Emission‐Active Unsymmetrical Pt II Metallomesogens through Self‐Assembly
    journal, July 2019

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    • Chemistry – A European Journal, Vol. 25, Issue 52
    • DOI: 10.1002/chem.201901763

    Fast and stable vapochromic response induced through nanocrystal formation of a luminescent platinum(II) complex on periodic mesoporous organosilica
    journal, October 2019


    Multi‐Stimuli‐Responsive Properties of Aggregation‐Enhanced Emission‐Active Unsymmetrical Pt II Metallomesogens through Self‐Assembly
    journal, July 2019

    • Cuerva, Cristián; Campo, José A.; Cano, Mercedes
    • Chemistry – A European Journal, Vol. 25, Issue 52
    • DOI: 10.1002/chem.201901763

    Fast and stable vapochromic response induced through nanocrystal formation of a luminescent platinum(II) complex on periodic mesoporous organosilica
    journal, October 2019


    Pt⋯Pt interaction triggered tuning of circularly polarized luminescence activity in chiral dinuclear platinum( ii ) complexes
    journal, January 2018

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    Solvent-tuned charge-transfer properties of chiral Pt( ii ) complex and TCNQ˙ anion adducts
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    Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation
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      Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.