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Sung, Molly M. H., Morris, Robert H. (2016) Density Functional Theory Calculations Support the Additive Nature of Ligand Contributions to the pKa of Iron Hydride Phosphine Carbonyl Complexes. Inorganic Chemistry, 55 (19) 9596-9601 doi:10.1021/acs.inorgchem.6b01274

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Reference TypeJournal (article/letter/editorial)
TitleDensity Functional Theory Calculations Support the Additive Nature of Ligand Contributions to the pKa of Iron Hydride Phosphine Carbonyl Complexes
JournalInorganic Chemistry
AuthorsSung, Molly M. H.Author
Morris, Robert H.Author
Year2016 (October 3)Volume55
Issue19
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.inorgchem.6b01274Search in ResearchGate
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Mindat Ref. ID1615160Long-form Identifiermindat:1:5:1615160:0
GUID0
Full ReferenceSung, Molly M. H., Morris, Robert H. (2016) Density Functional Theory Calculations Support the Additive Nature of Ligand Contributions to the pKa of Iron Hydride Phosphine Carbonyl Complexes. Inorganic Chemistry, 55 (19) 9596-9601 doi:10.1021/acs.inorgchem.6b01274
Plain TextSung, Molly M. H., Morris, Robert H. (2016) Density Functional Theory Calculations Support the Additive Nature of Ligand Contributions to the pKa of Iron Hydride Phosphine Carbonyl Complexes. Inorganic Chemistry, 55 (19) 9596-9601 doi:10.1021/acs.inorgchem.6b01274
In(2016, October) Inorganic Chemistry Vol. 55 (19) American Chemical Society (ACS)

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Sung, Molly M.H., Jdanova, Sofia, Morris, Robert H. (2019) Ligand acidity constants as calculated by density functional theory for PF3 and N-Heterocyclic carbene ligands in hydride complexes of Iron(II) Journal of Organometallic Chemistry, 880. 15-21 doi:10.1016/j.jorganchem.2018.10.024
Schnieders, David, Tsui, Brian T. H., Sung, Molly M. H., Bortolus, Mark R., Schrobilgen, Gary J., Neugebauer, Johannes, Morris, Robert H. (2019) Metal Hydride Vibrations: The Trans Effect of the Hydride. Inorganic Chemistry, 58 (18) 12467-12479 doi:10.1021/acs.inorgchem.9b02302
Sung, Molly M. H., Prokopchuk, Demyan E., Morris, Robert H. (2019) Phosphine-free ruthenium NCN-ligand complexes and their use in catalytic CO2 hydrogenation. Dalton Transactions, 48 (44). 16569-16577 doi:10.1039/c9dt03143j
Morris, Robert H. (2018) Estimating the Wavenumber of Terminal Metal-Hydride Stretching Vibrations of Octahedral d6 Transition Metal Complexes. Inorganic Chemistry, 57 (21) 13809-13821 doi:10.1021/acs.inorgchem.8b02314
Hopmann, Kathrin H., Ghosh, Abhik, Noodleman, Louis (2009) Density Functional Theory Calculations on Mössbauer Parameters of Nonheme Iron Nitrosyls. Inorganic Chemistry, 48 (19) 9155-9165 doi:10.1021/ic9008784
Zurakowski, Joseph A., Bhattacharyya, Moulika, Spasyuk, Denis M., Drover, Marcus W. (2021) Octaboraneyl [Ni(H)(diphosphine)2]+ Complexes: Exploiting Phosphine Ligand Lability for Hydride Transfer to an [NAD]+ Model. Inorganic Chemistry, 60 (1) 37-41 doi:10.1021/acs.inorgchem.0c03409
Morris, Robert H. (2024) Relationship between Transition-Metal Hydride Bond Lengths and Stretching Wavenumbers. Inorganic Chemistry, 63 (52). doi:10.1021/acs.inorgchem.4c03690
Hopmann, Kathrin H., Ghosh, Abhik, Noodleman, Louis (2011) Correction to Density Functional Theory Calculations on Mössbauer Parameters of Nonheme Iron Nitrosyls. Inorganic Chemistry, 50 (9) 4221 doi:10.1021/ic200575z
Vadivelu, Prabha, Suresh, Cherumuttathu H. (2015) Metal- and Ligand-Assisted CO2 Insertion into Ru–C, Ru–N, and Ru–O Bonds of Ruthenium(II) Phosphine Complexes: A Density Functional Theory Study. Inorganic Chemistry, 54 (2) 502-512 doi:10.1021/ic5022577
Jia, Guochen, Morris, Robert H. (1990) Comparing the acidity of hydride and .eta.2-dihydrogen complexes of transition metals. Inorganic Chemistry, 29 (4) 581-582 doi:10.1021/ic00329a003
Taheri, Atefeh, Berben, Louise A. (2016) Tailoring Electrocatalysts for Selective CO2or H+Reduction: Iron Carbonyl Clusters as a Case Study. Inorganic Chemistry, 55 (2) 378-385 doi:10.1021/acs.inorgchem.5b02293
 
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