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Description

The electronic structure of eight zinc-centered porphyrin macrocyclic molecules are investigated using density functional theory for ground-state properties, time-dependent density functional theory (TDDFT) for excited states, and Franck-Condon (FC) analysis for further characterization of the UV-vis spectrum. Symmetry breaking was utilized to find the lowest energy of the excited states

The electronic structure of eight zinc-centered porphyrin macrocyclic molecules are investigated using density functional theory for ground-state properties, time-dependent density functional theory (TDDFT) for excited states, and Franck-Condon (FC) analysis for further characterization of the UV-vis spectrum. Symmetry breaking was utilized to find the lowest energy of the excited states for many states in the spectra. To confirm the theoretical modeling, the spectroscopic result from zinc phthalocyanine (ZnPc) is used to compare to the TDDFT and FC result. After confirmation of the modeling, five more planar molecules are investigated: zinc tetrabenzoporphyrin (ZnTBP), zinc tetrabenzomonoazaporphyrin (ZnTBMAP), zinc tetrabenzocisdiazaporphyrin (ZnTBcisDAP), zinc tetrabenzotransdiazaporphyrin (ZnTBtransDAP), and zinc tetrabenzotriazaporphyrin (ZnTBTrAP). The two latter molecules are then compared to their phenylated sister molecules: zinc monophenyltetrabenzotriazaporphyrin (ZnMPTBTrAP) and zinc diphenyltetrabenzotransdiazaporphyrin (ZnDPTBtransDAP). The spectroscopic results from the synthesis of ZnMPTBTrAP and ZnDPTBtransDAP are then compared to their theoretical models and non-phenylated pairs. While the Franck-Condon results were not as illuminating for every B-band, the Q-band results were successful in all eight molecules, with a considerable amount of spectral analysis in the range of interest between 300 and 750 nm. The π-π* transitions are evident in the results for all of the Q bands, while satellite vibrations are also visible in the spectra. In particular, this investigation finds that, while ZnPc has a D4h symmetry at ground state, a C4v symmetry is predicted in the excited-state Q band region. The theoretical results for ZnPc found an excitation energy at the Q-band 0-0 transition of 1.88 eV in vacuum, which is in remarkable agreement with published gas-phase spectroscopy, as well as our own results of ZnPc in solution with Tetrahydrofuran that are provided in this paper.

ContributorsTheisen, Rebekah (Author) / Huang, Liang (Author) / Fleetham, Tyler (Author) / Adams, James (Author) / Li, Jian (Author) / Ira A. Fulton Schools of Engineering (Contributor)
Created2015-03-07
Description

(Preprint.) Today's college and university learning landscapes are dynamic and
characterized by increased student demand for highly flexible and self-paced online learning opportunities. Recent fiscal conditions in higher education make learning landscape development more challenging due to finite resources and competing priorities. Similarly, academic libraries are experiencing substantial budget and staff

(Preprint.) Today's college and university learning landscapes are dynamic and
characterized by increased student demand for highly flexible and self-paced online learning opportunities. Recent fiscal conditions in higher education make learning landscape development more challenging due to finite resources and competing priorities. Similarly, academic libraries are experiencing substantial budget and staff reductions. Despite these trends, academic libraries are in a strong position to contribute to surrounding learning landscapes by expanding student online learning opportunities and promoting the critical use of information. Evolving learning technologies available for free or at low cost provide higher education and libraries with the tools to respond to this fluid environment.

ContributorsKammerlocher, Lisa (Author) / Couture, Julianne (Author) / Sparks, Olivia (Author) / Harp, Matthew (Author) / Allgood, Tammy (Author)
Created2011
Description

Library One Search (Summon) Usability at ASU

ContributorsAllgood, Tammy (Author) / Kush, Jordyn (Author)
Created2015-11-06
Description

Conference Proceedings

ContributorsAllgood, Tammy (Author) / Gallegos, Bee (Author) / Grondin, Karen (Author)
Created2007-05-04
Description

Invited presenter for ALA Annual Conference, 2008.

ContributorsAllgood, Tammy (Author) / Duarte, Marisa (Author)
Created2008-06-20
Description

Quarantined: The Fletcher Library Game Project.

ContributorsAllgood, Tammy (Author)
Description

Leveraging Drupal for your business:
Use Drupal to power your business -- hear case studies and learn about adapting to open-source technology.

Libraries are growing into new joint entities -- the library as a place, and the library as a resource. Library websites serve as a resource, delivering tools for learning to

Leveraging Drupal for your business:
Use Drupal to power your business -- hear case studies and learn about adapting to open-source technology.

Libraries are growing into new joint entities -- the library as a place, and the library as a resource. Library websites serve as a resource, delivering tools for learning to patrons and students in an academic setting. Drupal is an ideal tool for facilitating the specialized tasks that many library developers have to complete.

In this session, attendees will learn about:
       1. Using the built-in architecture of Drupal 6 and Drupal 7 to meet the goals of library 
           websites.
       2. The 10 best modules for library websites.
       3. 10 recommended theming techniques for common library interfaces.
       4. New expectations of library websites as gathered from user surveys and usability
           studies.
       5. Example set-ups of Drupal sites for common library settings and staff organizations.
       6. Successful case studies of major library websites run on Drupal.
       7. Tips for useful library-specific usability studies with library users and students.

Attendees will come away from this session with a firm understanding of quality library sites as tools, and what many users are growing to expect. They will also learn how to set up a Drupal website for a library, and successful ways to meet the specific resource needs of their organizations.

The archived event website can be accessed here.

ContributorsAllgood, Tammy (Author)
Created2010-04-20
Description

Limited to streaming only those videos a vendor hosted, ASU Libraries sought to expand collection options with a trial project for hosting content locally. Kaltura, was selected as the platform, but Kaltura does not work out of the box. This presentation will cover how using Drupal, along with Kaltura, we

Limited to streaming only those videos a vendor hosted, ASU Libraries sought to expand collection options with a trial project for hosting content locally. Kaltura, was selected as the platform, but Kaltura does not work out of the box. This presentation will cover how using Drupal, along with Kaltura, we built a working video hosting solution. The presentation will cover administrative hurdles, stumbling blocks, pitfalls, enhancements, and lessons learned along the way.

ContributorsHarp, Matthew (Author) / farrelly, deg (Author) / Kurtz, Jeremy (Author) / Allgood, Tammy (Author)
Created2012-06-25
ContributorsAllgood, Tammy (Author) / Kush, Jordyn (Author)