Solution-Mediated Annealing Pathways Are Critical for Supramolecular Ordering of Complex Macrocycles at Surfaces
Castillo, H. D.; Yang, J.; Debnath, S.; Dobscha, J. R.; Trainor, C. Q.; Mortensen, R. D.; Raghavachari, K.; Flood, A. H.; Ortoleva, P. J.; Tait, S. L., Solution-Mediated Annealing Pathways Are Critical for Supramolecular Ordering of Complex Macrocycles at Surfaces. J. Phys. Chem. C 2020, 124, 6689–6699. DOI: https://doi.org/10.1021/acs.jpcc.9b11867
Understanding the Origin of 2D Self-Assembly of Tricarbazole Macrocycles: A Combined QM/MD Study
Debnath, S.; Yang, J.; Ortoleva, P. J.; Raghavachari, K., Understanding the Origin of 2D Self-Assembly of Tricarbazole Macrocycles: A Combined QM/MD Study. J. Chem. Phys. C 2019, 123, 17616-17623. DOI: https://doi.org/10.1021/acs.jpcc.9b04290
Ultra-Bright Fluorescent Organic Nanoparticles Based on Small-Molecule Ionic Isolation Lattices
Chen, J.; Ali Fateminia, S. M.; Kacenauskaite, L.; Bærentsen, N.; Stenspil, S. G.; Bredehoeft, J.; Martinez, K. L.; Flood, A. H.; Laursen, B. W., Ultra-Bright Fluorescent Organic Nanoparticles Based on Small-Molecule Ionic Isolation Lattices. ChemRxiv 2021 DOI: https://doi.org/10.26434/chemrxiv.13584995.v1
Supramolecular Assemblies on Surfaces: Nanopatterning, Functionality, and Reactivity.
Goronzy, D. P.; Ebrahimi, M.; Rosei, F.; Arramel; Fang, Y.; De Feyter, S.; Tait, S. L.; Wang, C.; Beton, P. H.; Wee, A. T. S.; Weiss, P. S.; Perepichka, D. F., Supramolecular Assemblies on Surfaces: Nanopatterning, Functionality, and Reactivity. ACS Nano 2018, 12, 7445-7481. DOI:
Sequence-defined Macrocycles for Understanding and Controlling the Build-up of Hierarchical Order in Self-assembled 2D Arrays
Dobscha, J. R.; Castillo, H. D.; Fadler, R. E.; Taylor, R. D.; Brown, A. A.; Trainor, C. Q.; Tait, S. L.; Flood, A. H., Sequence-defined Macrocycles for Understanding and Controlling the Build-up of Hierarchical Order in Self-assembled 2D Arrays. J. Am. Chem. Soc. 2019, 141, 17588–17600. DOI: https://doi.org/10.1021/jacs.9b06410
Plug-and-play Optical Materials from Fluorescent Dyes and Macrocycles
Benson, C. R.; Kacenauskaite, L.; VanDenburgh, K. L.; Zhao, W.; Qiao, B.; Sadhukhan, T.; Pink, M.; Chen, J.; Borgi, S.; Chen, C.; Davis, B. J.; Simon, Y. C.; Raghavachari, K.; Laursen, B. W.; Flood, A. H., Plug-and-play Optical Materials from Fluorescent Dyes and Macrocycles, Chem, 2020. 6, 1978-1997. DOI: https://doi.org/10.1016/j.chempr.2020.06.029
![Ionic manipulation of charge-transfer and photodynamics of [60]fullerene confined in pyrrolo-tetrathiafulvalene cage](https://www.chem.indiana.edu/mmdl/wp-content/uploads/sites/6/2021/01/chem-commun-2017.jpg)
Ionic manipulation of charge-transfer and photodynamics of [60]fullerene confined in pyrrolo-tetrathiafulvalene cage
Bähring, S.; Larsen, K. R.; Supur, M.; Nielsen, K. A.; Poulsen, T.; Ohkubo, K.; Marlatt, C. W.; Miyazaki, E.; Takimiya, K.; Flood, A. H.; Fukuzumi, S.; Jeppesen, J. O., Ionic manipulation of charge-transfer and photodynamics of [60]fullerene confined in pyrrolo-tetrathiafulvalene cage. Chem. Commun. 2017, 53, 9898-9901. DOI: https://doi.org/10.1039/C7CC03775A
Complex molecular surfaces and interfaces: concluding remarks
Amabilino, D. B.; Tait, Steven L., Complex molecular surfaces and interfaces: concluding remarks. Faraday Disc. 2017, 204, 487-502. DOI: https://doi.org/10.1039/C7FD90075A
Multiscale Molecular Dynamics Approach to Energy Transfer in Nanomaterials
Espinosa-Duran, J. M.; Sereda, Y. V.; Abi-Mansour, A.; Ortoleva, P., "Multiscale Molecular Dynamics Approach to Energy Transfer in Nanomaterials," J. Chem. Theory Comp. 2018, 14, 916-928. DOI: https://doi.org/10.1021/acs.jctc.7b00702
Surface Self-Assembly, Film Morphology, and Charge Transport Properties of Semiconducting Triazoloarenes
D. L. Wisman, S. Kim, T. W. Morris, J. Choi, C. D. Tempas, C. Q. Trainor, D. Lee, and S. L. Tait, “Surface Self-Assembly, Film Morphology, and Charge Transport Properties of Semiconducting Triazoloarenes,” Langmuir, 35, 6304-6311 (2019). DOI: 10.1021/acs.langmuir.9b00512
Amphiphile self-assembly dynamics at the solution-solid interface reveal asymmetry in head/tail desorption
Programmed Negative Allostery with Guest-Selected Rotamers Control Anion–Anion Complexes of Stackable Macrocycles
Sheetz, E. G.; Qiao, B.; Pink, M.; Flood, A. H. "Programmed Negative Allostery with Guest-Selected Rotamers Control Anion–Anion Complexes of Stackable Macrocycles" J. Am. Chem. Soc. 2018, 140, 7773-7777. DOI: 10.1021/jacs.8b02993
Host-host Interactions Control Self-assembly and Switching of Triple and Double Decker Stacks of Tricarbazole Macrocycles Co-assembled with Anti-electrostatic Bisulfate Dimers
J. R. Dobscha, S. Debnath, R. E. Fadler, E. M. Fatila, M. Pink, K. Raghavachari, and A. H. Flood, Host-host Interactions Control Self-assembly and Switching of Triple and Double Decker Stacks of Tricarbazole Macrocycles Co-assembled with Anti-electrostatic Bisulfate Dimers”, Chem. Eur. J. 2018, 24, 9841-9852. DOI: https://doi.org/10.1002/chem.201800827
A novel macrocycle, with repeating triazole-carbazole units
US Patent Application: A. H. Flood, B. E. Hirsch, S. Lee, S. L. Tait, and J. R. Dobscha, A novel macrocycle, with repeating triazole-carbazole units (2015), Serial No.: 62/169,451
Color matched and bright fluorescent materials composed of small-molecule ionic lattices
US Provisional Patent Application: A. H. Flood, and B. W. Laursen, Color matched and bright fluorescent materials composed of small-molecule ionic lattices (Filing Date: March 10, 2018)
From Foldable Open-Chains to Shape-Persistent Macrocycles: Synthesis, Impact on 2D Ordering, and Stimulated Self-Assembly
S. Kim, H. D. Castillo, M. Lee, R. D. Mortensen, S. L. Tait, and D. Lee, From Foldable Open-Chains to Shape-Persistent Macrocycles: Synthesis, Impact on 2D Ordering, and Stimulated Self-Assembly. J. Am. Chem. Soc. 140, just accepted manuscript (2018). DOI: 10.1021/jacs.8b01805
Multiscale time-dependent density functional theory: Demonstration for plasmons
J. Jiang, A. AbiMansour, and P. J. Ortoleva, Multiscale time-dependent density functional theory: Demonstration for plasmons J. Chem. Phys. 147, 054102 (2017). DOI: 10.1063/1.4994896
Physical and chemical model of ion stability and movement within the dynamic and voltage-gated STM tip-surface tunneling junction
B. E. Hirsch, K. P. McDonald, S. L. Tait, and A. H. Flood, Physical and chemical model of ion stability and movement within the dynamic and voltage-gated STM tip-surface tunneling junction. Faraday Trans. 204, 159-172 (2017). Cover Art. DOI: 10.1039/C7FD00104E
Ion-Pair Oligomerization of Chromogenic Triangulenium Cations with Cyanostar-modified Anions That Controls Emission in Hierarchical Materials
B. Qiao, B. E. Hirsch, S. Lee, M. Pink, C.-H. Chen, B. W. Laursen, and A. H. Flood, Ion-Pair Oligomerization of Chromogenic Triangulenium Cations with Cyanostar-modified Anions That Controls Emission in Hierarchical Materials. J. Am. Chem. Soc. 139, 6226-6233 (2017). DOI: 10.1021/jacs.7b01937
Reverse coarse-graining for equation-free modeling: application to multiscale molecular dynamics
A. AbiMansour, and P. J. Ortoleva, Reverse coarse-graining for equation-free modeling: application to multiscale molecular dynamics, J. Chem. Theory Comput. 12, 5541–5548 (2016). DOI: 10.1021/acs.jctc.6b00348
Multifunctional Tricarbazolo Triazolophane Macrocycles: One-Pot Preparation, Anion Binding, and Hierarchical Self-Organization of Multilayers
S. Lee, B. E. Hirsch, Y. Liu, J. R. Dobscha, D. W. Burke, S. L. Tait, and A. H. Flood, Multifunctional Tricarbazolo Triazolophane Macrocycles: One-Pot Preparation, Anion Binding, and Hierarchical Self-Organization of Multilayers, Chem. Eur. J. 22, 560-569 (2016). Cover Art. DOI: 10.1002/chem.201503161
Implicit time integration for multiscale molecular dynamics using transcendental Pade approximants
AbiMansour, A.; Ortoleva, P. J., Implicit time integration for multiscale molecular dynamics using transcendental Pade approximants. J. Chem. Theory Comput. 12, 1965 (2016). DOI: 10.1021/acs.jctc.5b01232