Digital Commons Network^™

X-Ray Structure And Properties Of The Ferrous Octaethylporphyrin Nitroxyl Complex, Nagabhushanam Kundakarla, Sergey V. Lindeman, Hafiz Md. Rahman, Michael D. Ryan

Chemistry Faculty Research and Publications

The preparation and characterization of the iron octaethylporphyrin nitroxyl ion, [Fe(OEP)(NO)⁻], is reported. The complex was synthesized by the one-electron reduction of Fe(OEP)(NO) using anthracenide as the reducing agent. The compound was isolated as the potassium (2.2.2)cryptand salt. The anion was characterized using X-ray analysis with visible and infrared spectroscopy. The spectral features of the iron nitroxyl complex were consistent with previous literature reports. The important structural changes upon reduction were a significant decrease in the Fe–N–O bond angle from 142° to 127° and an increase in the N–O bond length from that in the starting nitrosyl moiety. …

Hydrogen-Atom Attack On Phenol And Toluene Is Ortho-Directed, Olha Krechkivska, Callan M. Wilcox, Tyler P. Troy, Klaas Nauta, Bun Chan, Rebecca Jacob, Scott A. Reid, Leo Radom, Timothy W. Schmidt, Scott H. Kable

Chemistry Faculty Research and Publications

The reaction of H + phenol and H/D + toluene has been studied in a supersonic expansion after electric discharge. The (1 + 1′) resonance-enhanced multiphoton ionization (REMPI) spectra of the reaction products, at m/z = parent + 1, or parent + 2 amu, were measured by scanning the first (resonance) laser. The resulting spectra are highly structured. Ionization energies were measured by scanning the second (ionization) laser, while the first laser was tuned to a specific transition. Theoretical calculations, benchmarked to the well-studied H + benzene → cyclohexadienyl radical reaction, were performed. The spectrum arising from the …

One-Pot Synthesis Of Biocompatible Silver Nanoparticle Composites From Cellulose And Keratin: Characterization And Antimicrobial Activity, Chieu D. Tran, Franja Prosenc, Mladen Franko, Gerald Benzi

Chemistry Faculty Research and Publications

A novel, simple method was developed to synthesize biocompatible composites containing 50% cellulose (CEL) and 50% keratin (KER) and silver in the form of either ionic (Ag⁺) or Ag⁰ nanoparticles (Ag⁺NPs or Ag⁰NPs). In this method, butylmethylimmidazolium chloride ([BMIm⁺Cl^–]), a simple ionic liquid, was used as the sole solvent and silver chloride was added to the [BMIm⁺Cl^–] solution of [CEL+KER] during the dissolution process. The silver in the composites can be maintained as ionic silver (Ag⁺) or completely converted to metallic silver (Ag …

A Flipped Classroom Redesign In General Chemistry, Scott A. Reid

Chemistry Faculty Research and Publications

The flipped classroom continues to attract significant attention in higher education. Building upon our recent parallel controlled study of the flipped classroom in a second-term general chemistry course (J. Chem. Educ., 2016, 93, 13–23), here we report on a redesign of the flipped course aimed at scaling up total enrollment while keeping discussion sizes small (i.e.,students), and maintaining equivalent contact hour load for faculty and workload for students. To that end, the course format featured lecture contact pushed outside of the classroom in the form of video lectures (mean duration 13 minutes) paired with online …

Accessing Spin-Crossover Behaviour In Iron(Ii) Complexes Of N-Confused Scorpionate Ligands, James R. Gardinier, Alexander Richard Treleven, Kristin J. Meise, Sergey V. Lindeman

Chemistry Faculty Research and Publications

The first examples of a class of N-confused tris(pyrazolyl)methane ‘scorpionate’ ligands have been prepared. The magnetic properties of their iron(II) tetrafluoroborate complexes are dictated by changing one substituent per ligand rather than three as is typical for normal scorpionate ligands.

Reactivity Of (3-Methylpentadienyl)Iron(1+) Cation: Late-Stage Introduction Of A (3-Methyl-2z,4-Pentadien-1-Yl) Side Chain, Subhabrata Chaudhury, Shukun Li, William A. Donaldson

Chemistry Faculty Research and Publications

The 3-methyl-2Z,4-pentadien-1-yl sidechain is found in various sesquiterpenes and diterpenes. A route for the late stage introduction of this functionality was developed which relies on nucleophilic attack on the (3-methylpentadienyl)iron(1+) cation, followed by oxidative decomplexation. This methodology was applied to the synthesis of the proposed structure of heteroscyphic acid A methyl ester. Realization of this synthesis led to a correction of the proposed structure.

On Stabilization Of Scattering Resonances In Recombination Reaction That Forms Ozone, Mikhail V. Ivanov, Dmitri Babikov

Chemistry Faculty Research and Publications

Calculations of energy transfer in the recombination reaction that forms ozone are carried out within the framework of the mixed quantum/classical theory and using the dimensionally reduced 2D-model of ozone molecule, with bending motion neglected. Recombination rate coefficients are obtained at room temperature for symmetric and asymmetric isotopomers of singly and doubly substituted isotopologues. The processes of resonance formation, spontaneous decay, collisional dissociation, and stabilization by bath gas (Ar) are all characterized and taken into account within the steady-state approximation for kinetics. The focus is on stabilization step, where the mysterious isotopic η-effect was thought to originate from. Our results …

A Full-Dimensional Model Of Ozone Forming Reaction: The Absolute Value Of The Recombination Rate Coefficient, Its Pressure And Temperature Dependencies, Alexander Teplukhin, Dmitri Babikov

Chemistry Faculty Research and Publications

Rigorous calculations of scattering resonances in ozone are carried out for a broad range of rotational excitations. The accurate potential energy surface of Dawes is adopted, and a new efficient method for calculations of ro–vibrational energies, wave functions and resonance lifetimes is employed (which uses hyper-spherical coordinates, the sequential diagonalization/truncation approach, grid optimization and complex absorbing potential). A detailed analysis is carried out to characterize distributions of resonance energies and lifetimes, their rotational/vibrational content and their positions with respect to the centrifugal barrier. Emphasis is on the contribution of these resonances to the recombination process that forms ozone. It is …

Does Koopmans’ Paradigm For 1-Electron Oxidation Always Hold? Breakdown Of Ip/EOx Relationship For P-Hydroquinone Ethers And The Role Of Methoxy Group Rotation, Marat R. Talipov, Anitha Boddeda, Sergey V. Lindeman, Rajendra Rathore

Chemistry Faculty Research and Publications

Koopmans’ paradigm states that electron loss occurs from HOMO, thus forming the basis for the observed linear relationships between HOMO/IP, HOMO/Eox, and IP/E_ox. In cases where a molecule undergoes dramatic structural reorganization upon 1-electron oxidation, the IP/E_oxrelationship does not hold, and the origin of which is not understood. For example, X-ray crystallography of the neutral and cation radicals of bicyclo[2.2.1]heptane-annulated p-hydroquinone ethers (^THE and ^MHE) showed that they undergo electron-transfer-induced conformational reorganization and show breakdown of the IP/E_ox relationship. DFT calculations revealed that Koopmans’ paradigm …

Design And Synthesis Of Oxazoline-Based Scaffolds For Hybrid Lewis Acid/Lewis Base Catalysis Of Carbon–Carbon Bond Formation, Dennis Wiedenhoeft, Adam R. Benoit, Jacob D. Porter, Yibiao Wu, Rajdeep S. Virdi, Alaa Shanaa, Chris Dockendorff

Chemistry Faculty Research and Publications

A new class of hybrid Lewis acid/Lewis base catalysts has been designed and prepared with an initial objective of promoting stereoselective direct aldol reactions. Several scaffolds were synthesized that contain amine moieties capable of enamine catalysis, connected to heterocyclic metal-chelating sections composed of an oxazole–oxazoline or thiazole–oxazoline. Early screening results have identified oxa­zole–oxazoline-based systems capable of promoting a highly diastereo- and enantioselective direct aldol reaction of propionaldehyde with 4-nitrobenzaldehyde, when combined with Lewis acids such as zinc triflate.

Inelastic Scattering Of Identical Molecules Within Framework Of The Mixed Quantum/Classical Theory: Application To Rotational Excitations In H2 + H2, Alexander Semenov, Dmitri Babikov

Chemistry Faculty Research and Publications

Theoretical foundation is laid out for description of permutation symmetry in the inelastic scattering processes that involve collisions of two identical molecules, within the framework of the mixed quantum/classical theory (MQCT). In this approach, the rotational (and vibrational) states of two molecules are treated quantum-mechanically, whereas their translational motion (responsible for scattering) is treated classically. This theory is applied to H2 + H2 system, and the state-to-state transition cross sections are compared versus those obtained from the full-quantum calculations and experimental results from the literature. Good agreement is found in all cases. It is also found that results of MQCT, …

From Wires To Cables: Attempted Synthesis Of 1,3,5-Trifluorenylcyclohexane As A Platform For Molecular Cables, Marat R. Talipov, Sameh H. Abdelwahed, Khushabu Thakur, Scott A. Reid, Rajendra Rathore

Chemistry Faculty Research and Publications

Multiple molecular wires braided together in a single assembly, termed as molecular cable, are promising next-generation materials for effective long-range charge transport. As an example of the platform for constructing molecular cables, 1,3,5-trifluorenylcyclohexane (TFC) and its difluorenyl analogues (DFCs) were systematically investigated both experimentally (X-ray crystallography) and theoretically (DFT calculations). Although the syntheses of DFCs were successfully achieved, the synthesis of TFC, which involved a similar intramolecular Friedel–Crafts cyclization as the last step, was unsuccessful. An exhaustive study of the conformational landscape of cyclohexane ring of TFC and DFCs revealed that TFC is …

Juking Access To Justice To Deregulate The Legal Market, Milan Markovic

Faculty Scholarship

Study after study has concluded that the United States suffers from a lack of access to justice because most legal issues are addressed without attorney involvement. To better serve Americans who cannot currently afford legal assistance, scholars have argued that corporations should be permitted to offer legal services. England and Australia already allow corporations to own law firms and deliver legal services.

Whatever the merits of corporate delivery of legal services, its impact on access to justice has been overstated. The cost of legal services plays a minor role in decisions to not obtain legal assistance. Moreover, many legal services …

The More Copyright Laws Change, The More Digital Challenges Stay The Same, Peter K. Yu

Faculty Scholarship

This essay was a contribution to the Liber Amicorum for Professor Jan Rosén of Stockholm University, a former president of the International Association for the Advancement of Teaching and Research in Intellectual Property (ATRIP). Drawing on Professor Rosén's scholarship, the essay shows how today's judges, legislators, policymakers and commentators continue to address questions that copyright and media law scholars have explored in the past decades.

Specifically, this essay focuses on two topics. The first topic concerns the exhaustion of distribution rights in computer software and other digital works, including regional exhaustion within the European Union. The second topic covers the …

#Sayhername Captured: Using Video To Challenge Law Enforcement Violence Against Women, Amber Baylor

Faculty Scholarship

Kianga Mweba’s cellphone camera blurs into darkness broken by flashes of lights surrounding her car. From the audio of her cellphone recording, one can hear Kianga Mweba scream as she is pulled out of the car and tased. Mweba, arrested as she filmed the police detaining a man on the street, was charged with attempted assault on an officer. After recovering footage from her phone, her defense attorney produced the video as evidence against the criminal charges. Now the recording is a key piece of evidence in a lawsuit against the department. Mweba’s experience, captured by her cellphone camera, rallied …

Framing Collaboration: Archives, Irs, And General Collections, Amy Cooper Cary, Michelle Sweetser, Scott Mandernack, Tara Baillargeon

Library Faculty Research and Publications

Collaborative collecting highlights the opportunity for liaison librarians and archivists in academic libraries to develop an integrated and holistic approach to the successful collection of library materials. Yet as academic libraries become the central location for general collections, institutional repositories, university archives, manuscript collections, and other special collections, the world of collecting in academic libraries becomes more siloed. The profession stands to benefit from a stronger realization of shared collecting practices. Liaison librarians have the potential to provide critical information to archivists in support of faculty collecting and research. Archivists have the opportunity to provide liaison librarians with context about …

The Cause And The 'Chives: Curatorial Reflections, Phillip M. Runkel

Library Faculty Research and Publications

No abstract provided.

What To Do When Your Heritage Is Hateful, Christopher B. Strain

Journal of Hate Studies

In a National Public Radio piece aired on July 14, 2015, Gene Demby describe the “awkward mental gymnastics” involved in certain cultural preferences. A person’s musical tastes might run toward gangsta rap or outlaw country, for example, both of which can be misogynistic and reactionary, but the listener might paradoxically consider himself to be a supporter of women’s rights. Such inherent contradiction might seem hypocritical to some, but there is a certain elasticity of symbols, as cyphers meaning different things to different people. For some, the Confederate flag is a sign of racial Neanderthalism, the trademark of unreconstructed segregationists and …

Absence, Revision, And The Other: Rhetorics Of South Carolina Antebellum Tourism Sites, Deborah Cunningham Breede, Christine S. Davis, Jan Warren-Findlow

Journal of Hate Studies

The production of tourism situated within an antebellum history is fraught with tension. Moralities, power conflicts, and identities clash as tourist production based on historical apartheid in the United States proliferates and becomes more popular and profitable. Southern states such as South Carolina are particularly subject to such concerns. As one of the original thirteen colonies, South Carolina was a profitable participant in the plantation system, a system built upon rhetorics of absence, revision, and hatred. These rhetorical constructions effectively created a view of enslaved Africans that “othered” and minimized them and erased their presence, importance, and humanity. The resulting …

The End Of An Era? Federal Civil Procedure After The 2015 Amendments, Adam N. Steinman

Faculty Scholarship

The recent amendments to the Federal Rules of Civil Procedure were the most controversial in decades. The biggest criticisms concerned pleading standards and access to discovery. Many feared that the amendments would undermine the simplified, merits-driven approach that the original drafters of the Federal Rules envisioned and would weaken access to justice and the enforcement of substantive rights and obligations.

This Article argues that the amendments that came into effect on December 1, 2015, do not mandate a more restrictive approach to pleading or discovery. Although there was legitimate cause for alarm given the advisory committee’s earlier proposals and supporting …

Recent Cases: Eeoc V. Abercrombie & Fitch Stores, Inc.: Religious Accommodation In The Workplace, Elizabeth King

Faculty Scholarship

In EEOC v. Abercrombie & Fitch Stores, Inc., the plaintiff, Samantha Elauf, was rejected from a sales clerk position because her headscarf clashed with Abercrombie & Fitch’s employee dress code.¹ This code, Abercrombie’s “Look Policy,” required all employees to dress in a “classic East Coast collegiate style” and prohibited “caps.”² However, Elauf, a practicing Muslim, wore a headscarf (or “hijab”) as a representation and obligation of her religion.³ After Abercrombie rejected her employment application, the Equal Employment Opportunity Commission (“EEOC”) sued the company on Elauf’s behalf, alleging a Title VII violation for failure to accommodate a …

Insights From Psychology: Teaching Behavioral Legal Ethics As A Core Element Of Professional Responsibility, Tigran W. Eldred

Faculty Scholarship

The field of behavioral legal ethics—which draws on a large body of empirical research to explore how subtle and often unconscious psychological factors influence ethical decision-making by lawyers—has gained significant attention recently, including by many scholars who have called for a pedagogy that incorporates behavioral lessons into the professional responsibility curriculum. This Article provides one of the first comprehensive accounts of how law teachers can meet this challenge. Based on an approach that employs a variety of experiential techniques to immerse students in the contextual and emotional aspects of legal practice, it provides a detailed model of how to teach …

Differentiating Deference, Anya Bernstein

Faculty Scholarship

There is now some consensus that the context of a statutory term plays a crucial part in its meaning.1 The argument continues, however, over what "kinds of context ... matter."2 Building on scholarship that addresses the wide range of contexts that contribute to legal meaning,3 this Article illuminates two factors crucial to interpreting legal language: the social nature of meaning-making and the practical nature of interpretive competence. I locate my inquiry in the judicial review of agency statutory interpretation, a particularly fruitful arena for analyzing statutory interpretation more generally.

To fill the gap, Part I of this Article first illuminates …

Europe 2016, Anwar Shaikh Phd

Archives of Anwar Shaikh

This collection includes,

• Shaikh, A., PhD. (2016). Europe 2016 [Folder cover]. Unpublished material.

• Unknown sender. (2016, June 16). Forwarded flight tickets for travel from Athens to Thessaloniki [Email]. Unpublished correspondence.

• Scuola Superiore Sant’Anna. (2016, May 23). Guest user credentials [Institutional document]. Unpublished material.

• Juillard, M. (2016, June 2). Directions to residence in Paris [Email]. Unpublished correspondence.

• Shaikh, A., PhD. (n.d.). Travel essentials and packing list, including map sketch [Handwritten notes]. Unpublished manuscript notes.

• Ferrari, L. (2016, May 6). Accommodation at Domus residence in Pisa [Email correspondence]. Unpublished correspondence.

• Dosi, G., & Ferrari, L. (2016, April 29). Travel itineraries [Email correspondence]. …

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Place Matters: The Longwood University Master Plan 2025, Longwood University, Cooper Robertson

Longwood Master Plans

No abstract provided.

Chair Support, Faculty Entrepreneurship, And The Teaching Of Statistical Reasoning To Journalism Undergraduates In The United States, Robert J. Griffin, Sharon Dunwoody

College of Communication Faculty Research and Publications

Statistical reasoning is not the same as doing calculations. Instead, it involves cognitive skills such as the ability to think critically and systematically with data, skills important for everyday news work and essential for the era of data journalism. Twin surveys of the chairs of undergraduate journalism programs in the United States, conducted 11 years apart, revealed that those who perceived benefits from statistical reasoning instruction were more likely to reward entrepreneurship (faculty attempts to integrate this instruction into their classes), but with slow gains over time in the fairly small number of such faculty. Being consistent with university goals …

Wilderness In Public Theology: A Dialogical Approach, Mary Doak, Thomas Hughson

Theology Faculty Research and Publications

No abstract provided.

God's Immanence: Liturgical Implications?, Thomas Hughson

Theology Faculty Research and Publications

No abstract provided.

War As Morally Unintelligible: Sovereign Agency And The Limits Of Kantian Autonomy, Philip J. Rossi

Theology Faculty Research and Publications

Kant’s treatment of war is usually discussed as part of his political philosophy or philosophy of history. In contrast, this essay locates these discussions in direct reference to major elements of his moral philosophy: autonomy, the categorical imperative, and the moral relationality of the kingdom of ends. Within this context, Kant’s account of war, particularly in writings from the 1790s, can be read as affirming war as morally unintelligible: It is the expression of a collective withdrawal from the constitutive relationality of moral community. This results in a radical disparity in the exercise of moral autonomy by the sovereign agency …

Kenotic Ecclesiology: Context, Orientations, Secularity, Thomas Hughson

Theology Faculty Research and Publications

No abstract provided.