Zobrazeno 1 - 10
of 30
pro vyhledávání: '"Dale R. Pahls"'
Publikováno v:
Inorganic Chemistry. 58:10139-10147
Novel heterobimetallic complexes featuring a uranium atom paired with a first-row transition metal have been computationally predicted and analyzed using density functional theory and multireference wave function based methods. The synthetically insp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::015fec3b6ec4cc512a940def6d3d5adf
https://doi.org/10.1021/acs.inorgchem.9b01264
https://doi.org/10.1021/acs.inorgchem.9b01264
Autor:
J. Brannon Gary, Theresa Warner, Ashley M. Wright, Kate Allen, Karen I. Goldberg, Thomas R. Cundari, Clark R. Landis, Jacob Z. Williams, Spring Melody M. Knapp, Dale R. Pahls
Publikováno v:
Journal of the American Chemical Society. 141:10830-10843
The rational development of homogeneous catalytic systems for selective aerobic oxidations of organics has been hampered by the limited available knowledge of how oxygen reacts with important organometallic intermediates. Recently, several mechanisms
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c5900ae396b4fac58ab2deeaf139893
https://doi.org/10.1021/jacs.9b04706
https://doi.org/10.1021/jacs.9b04706
Publikováno v:
The Journal of Physical Chemistry C. 122:16683-16691
We have investigated electronic energy barriers for ethylene hydrogenation and C–H bond activation in transition-metal-functionalized Zr-based nodes in the NU-1000 metal–organic framework using qua...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::de222646cb8347bef0e0b4579c5a2ddc
https://doi.org/10.1021/acs.jpcc.8b02368
https://doi.org/10.1021/acs.jpcc.8b02368
Publikováno v:
Inorganic Chemistry. 56:8739-8743
Zr-based metal–organic frameworks (MOFs) are promising supports for copper-based catalysts able to activate methane. Homo- and heterobimetal-functionalized NU-1000 MOF nodes were selected to computationally screen the effect of ancillary metals for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::94fc872c67ee4d09ccc37b9332e2b357
https://doi.org/10.1021/acs.inorgchem.7b01334
https://doi.org/10.1021/acs.inorgchem.7b01334
Autor:
B. Layla Mehdi, Jian Zheng, Johannes A. Lercher, Takaaki Ikuno, Maricruz Sanchez-Sanchez, Manuel A. Ortuño, Aleksei Vjunov, Debmalya Ray, Joseph T. Hupp, Laura Gagliardi, John L. Fulton, Nigel D. Browning, Dale R. Pahls, Donald M. Camaioni, Zhanyong Li, Omar K. Farha, Christopher J. Cramer
Publikováno v:
Journal of the American Chemical Society. 139:10294-10301
Copper oxide clusters synthesized via atomic layer deposition on the nodes of the metal–organic framework (MOF) NU-1000 are active for oxidation of methane to methanol under mild reaction conditions. Analysis of chemical reactivity, in situ X-ray a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c8aaa3fb424733bb867f9ea927075c59
https://doi.org/10.1021/jacs.7b02936
https://doi.org/10.1021/jacs.7b02936
We used density functional theory and multireference wave-function based methods to predict new heterobimetallic complexes featuring a uranium and a first-row transition metal. The quantum mechanical calculations predict a five-fold bonding between u
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::955b5050bf8ecfd7206e5212e270713c
https://doi.org/10.26434/chemrxiv.8233385.v1
https://doi.org/10.26434/chemrxiv.8233385.v1
Autor:
Christopher J. Cramer, Aaron W. Peters, Omar K. Farha, Laura Gagliardi, Joseph T. Hupp, Hyunho Noh, Nicolaas A. Vermeulen, Dale R. Pahls, Manuel A. Ortuño, Yuexing Cui
Publikováno v:
Journal of the American Chemical Society. 138:14720-14726
Molybdenum(VI) oxide was deposited on the Zr6 node of the mesoporous metal–organic framework NU-1000 via condensed-phase deposition where the MOF is simply submerged in the precursor solution, a process named solvothermal deposition in MOFs (SIM).
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bcb2721e67d83622bf46eaf4bf94cddf
https://doi.org/10.1021/jacs.6b08898
https://doi.org/10.1021/jacs.6b08898
Autor:
Varinia Bernales, Leighanne C. Gallington, Sai Puneet Desai, Stephen J. Tereniak, Dale R. Pahls, Joseph T. Hupp, Laura Gagliardi, In Soo Kim, Omar K. Farha, Andreas Stein, Timothy C. Wang, Anthony B. Thompson, R. Lee Penn, Camille D. Malonzo, Connie C. Lu, Thomas E. Webber, Zhanyong Li, Karena W. Chapman, Alex B. F. Martinson
Publikováno v:
Chemistry of Materials. 28:6753-6762
A heterobimetallic cobalt–aluminum complex was immobilized onto the metal organic framework NU-1000 using a simple solution-based deposition procedure. Characterization data are consistent with a maximum loading of a single Co–Al complex per Zr6
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c407c044ee71ef98cb61a882eb4c4370
https://doi.org/10.1021/acs.chemmater.6b03244
https://doi.org/10.1021/acs.chemmater.6b03244
Autor:
Brittney W. Thornton, Dale R. Pahls, Franklin Jia, Shannon L. Teaw, Thomas R. Cundari, Justin Qian
Publikováno v:
Computational and Theoretical Chemistry. 1073:102-105
Density functional theory (DFT) calculations were utilized to study the reductive functionalization (RF) of a bipyridine Co(III)–methyl complex, an integral step in metal-catalyzed hydrocarbon functionalization. In general, for the different X co-l
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dc6952c8ff6db7b7cef6df906b42a51d
https://doi.org/10.1016/j.comptc.2015.09.021
https://doi.org/10.1016/j.comptc.2015.09.021
Autor:
Dong Yang, Mohammad R. Momeni, Christopher J. Cramer, Bruce C. Gates, Timothy C. Wang, Laura Gagliardi, Joseph T. Hupp, Dale R. Pahls, Omar K. Farha
Publikováno v:
Journal of the American Chemical Society. 139(50)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f4080f6c738acf98211577ad96a9d23
https://pubmed.ncbi.nlm.nih.gov/25990021
https://pubmed.ncbi.nlm.nih.gov/25990021