Výsledky vyhledávání - "Ursula Mazur"

Akademický článek

Structure, Properties, and Reactivity of Porphyrins on Surfaces and Nanostructures with Periodic DFT Calculations

Autor: Bhaskar Chilukuri, Ursula Mazur, K. W. Hipps

Publikováno v: Applied Sciences, Vol 10, Iss 3, p 740 (2020)

Porphyrins are fascinating molecules with applications spanning various scientific fields. In this review we present the use of periodic density functional theory (PDFT) calculations to study the structure, electronic properties, and reactivity of po

Externí odkaz: https://doaj.org/article/4d08100e1a1b4122848fba63311f8cdb

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Role of the Supporting Surface in the Thermodynamics and Cooperativity of Axial Ligand Binding to Metalloporphyrins at Interfaces

Autor: Kristen N. Johnson, Bhaskar Chilukuri, Zachary E. Fisher, K.W. Hipps, Ursula Mazur

Publikováno v: Current Organic Chemistry. 26:553-562

Abstract: Metalloporphyrins have been shown to bind axial ligands in a variety of environments, including the vacuum/solid and solution/solid interfaces. Understanding the dynamics of such interactions is a desideratum for the design and implementati

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::23aaa19b56766c9a0ce3dbccdef8a092
https://doi.org/10.2174/1385272826666220209122508

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STM Investigation of the Y[C6S-Pc]2 and Y[C4O-Pc]2Complex at the Solution–Solid Interface: Substrate Effects, Submolecular Resolution, and Vacancies

Autor: K. W. Hipps, Shammi Rana, Jianzhuang Jiang, Ursula Mazur, Katalin V. Korpany

Publikováno v: The Journal of Physical Chemistry C. 125:1421-1431

Substituents present on a molecule are known to significantly control the assembly, adsorption, and orientation behavior on solid surfaces. Using scanning tunneling microscopy (STM), self-assembly ...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0ee407fdb5d165aaed905861a28b8d3f
https://doi.org/10.1021/acs.jpcc.0c10573

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Single molecule level studies of reversible ligand binding to metal porphyrins at the solution/solid interface

Autor: K. W. Hipps, Ursula Mazur

Publikováno v: Journal of Porphyrins and Phthalocyanines. 24:993-1002

Ligands bind reversibly to metal porphyrins in processes such as molecular recognition, electron transport and catalysis. These chemically relevant processes are ubiquitous in biology and are important in technological applications. In this article,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6dc072c2af99a734bf9d1295618ed385
https://doi.org/10.1142/s1088424620300049

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Cooperative Binding of 1-Phenylimidazole to Cobalt(II) Octaethylporphyrin on Graphite: A Quantitative Imaging and Computational Study at Molecular Resolution

Autor: Ursula Mazur, K. W. Hipps, Bhaskar Chilukuri, Katalin V. Korpany

Publikováno v: The Journal of Physical Chemistry C. 124:18639-18649

Cooperative interactions play a critical role in the stability and reactivity of biological systems and an increasingly important consideration in the synthesis of functional materials, but quantit...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::adaacee0ca12ca0a171b32982b21b09e
https://doi.org/10.1021/acs.jpcc.0c05516

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Balancing Noncovalent Interactions in the Self-Assembly of Nonplanar Aromatic Carboxylic Acid MOF Linkers at the Solution/Solid Interface: HOPG vs Au(111)

Autor: Matthew J. Hurlock, Kristen N Johnson, K. W. Hipps, Ursula Mazur, Qiang Zhang

Publikováno v: Langmuir. 35:5271-5280

This study explores directed noncovalent bonding in the self-assembly of nonplanar aromatic carboxylic acids on gold and graphite surfaces. It is the first step in developing a new design strategy to create two-dimensional surface metal-organic frame

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::426dce0f514ab02da211feb83275408b
https://doi.org/10.1021/acs.langmuir.9b00204

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