TC intro

Ion-Pair Oligomerization of Chromogenic Triangulenium Cations with Cyanostar-Modified Anions That Controls Emission in Hierarchical Materials

Bo Qiao, Brandon E. Hirsch, Semin Lee, Maren Pink, Chun-Hsing Chen, Bo W. Laursen, and Amar H. Flood, “Ion-Pair Oligomerization of Chromogenic Triangulenium Cations with Cyanostar-Modified Anions That Controls Emission in Hierarchical Materials,” J. Am. Chem. Soc., 2017 ASAP, DOI: 10.1021/jacs.7b01937.

TC intro

Physical and Chemical Model of Ion Stability and Movement within the Dynamic and Voltage-gated STM Tip-surface Tunneling Junction

Brandon E. Hirsch, Kevin P. McDonald, Steven L. Tait, and Amar H. Flood “Physical and Chemical Model of Ion Stability and Movement within the Dynamic and Voltage-gated STM Tip-surface Tunneling Junction,” in press for discussion at July 2017 Faraday Discussion (2017).

TC intro

Multifunctional Tricarbazolo Triazolophane Macrocycles: One-Pot Preparation, Anion Binding, and Hierarchical Self-Organization of Multilayers

Lee, S.; Hirsch, B. E.; Liu, Y.; Dobscha, J. R.; Burke, D. W.; Tait, S. L.; Flood, A. H., Multifunctional Tricarbazolo Triazolophane Macrocycles: One-Pot Preparation, Anion Binding, and Hierarchical Self-Organization of Multilayers, Chem. Eur. J. 2016, 22. 560-569. Cover Art DOI

Journals

AbiMansour, A.; Ortoleva, P. J (2016). Reverse coarse-graining for equation-free modeling: application to multiscale molecular dynamics. JCTC. . Status = ACCEPTED; Acknowledgment of Federal Support = Yes ; Peer Reviewed = Yes


AbiMansour, A.; Ortoleva, P. J.; (2016). Implicit time integration for multiscale molecular dynamics using transcendental Pade approximants. JCTC. 12 1965. Status = PUBLISHED; Acknowledgment of Federal Support = Yes ; Peer Reviewed = Yes

Conference Presentations

Flood, A. H. (2016). Anion Recognition and Switching at Interfaces. Spring ACS National Meeting. San Diego, CA. Status = PUBLISHED; Acknowledgement of Federal Support = Yes


Espinosa-Duran, J. M.; Sereda, Y. V.; Abi Mansour, A.; Ortoleva, P.; (2016). Bridging the gap between continuous and atomistic models in heat transfer. 252nd ACS National Meeting,. . Status = PUBLISHED; Acknowledgement of Federal Support = Yes


Castillo, H. D.; Schrecke, S. R.; Dobscha, J. R.; Liu, Y.; Espinosa-Duran, J. M.; Ashley, D.; Serada, Y. V.; Hirsch, B.; Baik, M.; Ortoleva, P.; Flood, A. H.; Tait, S. L., (2016). Designing Hierarchical and Host-Guest Supramolecular Interactions for 2D Organic Crystal Assemblies at the Liquid-Solid Interface. Indiana University 2016 Materials Symposium. . Status = PUBLISHED; Acknowledgement of Federal Support = Yes


Castillo, H. D.; Schrecke, S. R.; Dobscha, J. R.; Liu, Y.; Espinosa-Duran, J. M.; Ashley, D.; Serada, Y. V.; Hirsch, B.; Baik, M.; Ortoleva, P.; Flood, A. H.; Tait, S. L., (2016). Designing hierarchical supramolecular interactions for organic 2D crystal assemblies at the liquid-solid interface. Fall ACS National Meeting. . Status = PUBLISHED; Acknowledgement of Federal Support = Yes


Tait, S. L.; Hirsch, B. E.; Castillo, H. D.; Dobscha, J. R.; Liu, Y.; Espinosa-Duran, J. M.; Ashley, D.; Serada, Y. V.; Baik, M.; Ortoleva, P.; Flood, A. H., (2016). Designing responsive behavior in dynamic self-assemblies of small molecule systems at surfaces. Fall ACS National Meeting. . Status = PUBLISHED; Acknowledgement of Federal Support = Yes


Castillo, H. D.; Schrecke, S. R.; Dobscha, J. R.; Liu, Y.; Espinosa-Duran, J. M.; Ashley, D.; Serada, Y. V.; Hirsch, B.; Baik, M.; Ortoleva, P.; Flood, A. H.; Tait, S. L., (2016). Dynamic two-dimensional host-guest architectures at the liquid-graphite interface. Fall ACS National Meeting,. . Status = PUBLISHED; Acknowledgement of Federal Support = Yes


Schrecke, S. R.; Castillo, H. D.; Dobscha, J. R.; Espinosa-Duran, J. M.; Ortoleva, P.; Flood, A. H.; Tait, S.
L., (2016). Exploring Supramolecular Interactions of 2-D Crystals at the Solution-HOPG Interface. Indiana University 2016 Materials Symposium. . Status = PUBLISHED; Acknowledgement of Federal Support = Yes


Liu, Y.; Flood, A. H., (2016). In-silico supramolecular chemistry with shape-persistent macrocycles. Fall ACS National Meeting, Philadelphia. . Status = PUBLISHED; Acknowledgement of Federal Support = Yes


Flood, A. H.; Dobscha, J.; Castillo, H.; Liu, Y.; Espinosa-Duran, J. M.; Ashley, D.; Hirsch, B.; Sereda, Y.; Baik, M.-H.; Ortoleva, P.; Tait, S. L (2016). Multiscale and hierarchical organic materials by design, synthesis, and self-assembly. Fall ACS National Meeting. . Status = PUBLISHED; Acknowledgement of Federal Support = Yes


Espinosa-Duran, J. M.; Ashley, D.; Castillo, H.; Dobscha, J.; Hirsch, B.; Liu, Y.; Sereda, Y. V.; Baik, M.-H.; Flood, A. H.; Tait, S. L. Ortoleva, P.; (2016). Self-organization of organic molecules on graphite for photovoltaics. 252nd ACS National Meeting. . Status = PUBLISHED; Acknowledgement of Federal Support = Yes


Flood, A. H. (2015). Shape Persistent Macrocycles. Pacifichem. Honolulu, HI. Status = PUBLISHED; Acknowledgement of Federal Support = Yes RPPR – Preview Report 9/14/16, 12:10 PM
https://reporting.research.gov/rppr-web/rppr?execution=e1s120


Espinosa-Duran, J. M.; Ortoleva, P. (2016). Simulation of heat transfer in nanoscale materials: A multiscale theory. Indiana University 2016 Materials Symposium. . Status = PUBLISHED; Acknowledgement of Federal Support = Yes Schrecke, S. R.; Castillo, H. D.; Tait, S. L., (2016). Supramolecular self-assembly at the solution/solid interface. Fall ACS National Meeting, Philadelphia,. . Status = PUBLISHED; Acknowledgement of Federal Support = Yes


Dobscha, J. R.; Castillo, H. D.; Liu, Y.; Benson, C. R.; Espinosa-Duran, J. M.; Ashley, D. C.; Serada, Y. V.; Lee, S.; Hirsch, B. E.; Baik, M-H.; Ortoleva, P. J.; Tait, S. L.; Flood, A. H., (2016). Towards the Self-assembly, and Electronic Characterization of Tricarbazolo-Triazolophane Macrocycles. Indiana University 2016 Materials Symposium. . Status = PUBLISHED; Acknowledgement of Federal Support = Yes


Dobscha, J. R.; Castillo, H. D.; Liu, Y.; Benson, C. R.; Espinosa-Duran, J. M.; Ashley, D. C.; Serada, Y. V.; Lee, S.; Hirsch, B. E.; Baik, M-H.; Ortoleva, P. J.; Tait, S. L.; Flood, A. H., (2016). Towards the Self-association, Assembly, and Electronic Characterizarion of Tricarbazolo-Triazolophane Macrocycles. Annual H. C. Brown Lectures. Purdue, West Lafayette, IN. Status = PUBLISHED; Acknowledgement of Federal Support = Yes


Dobscha, J. R.; Castillo, H. D.; Liu, Y.; Benson, C. R.; Espinosa-Duran, J. M.; Ashley, D. C.; Serada, Y. V.; Lee, S.; Hirsch, B. E.; Baik, M-H.; Ortoleva, P. J.; Tait, S. L.; Flood, A. H., (2016). Towards the characterization of the redox properties of macrocycles. Fall ACS National Meeting, Philadelphia, PA. . Status = PUBLISHED; Acknowledgement of Federal Support = Yes


Dobscha, J. R.; Castillo, H. D.; Liu, Y.; Benson, C. R.; Espinosa-Duran, J. M.; Ashley, D. C.; Serada, Y. V.; Lee, S.; Hirsch, B. E.; Baik, M-H.; Ortoleva, P. J.; Tait, S. L.; Flood, A. H., (2016). Tuning molecular self-association of a shape-persistent macrocycle through electronic and steric modifications. Fall ACS National Meeting. . Status = PUBLISHED; Acknowledgement of Federal Support = Yes

Patents

Flood, Amar; Hirsch, Brandon E.; Lee, Semin; Tait, Steven L.; Dobscha, James. A NOVEL MACROCYCLE WITH REPEATING TRIAZOLE-CARBAZOLE UNITS. UNITED STATES. Application Date = 06/01/2016. Status = Pending