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Manuscript title: Reductive Hydrogenation on Sulfido-Bridged Tantalum Complexes: A Mechanistic Insight

Journal: Inorg. Chem.

DOI: 10.1021/acs.inorgchem.3c00043

Full metadata record
DC FieldValueLanguage
dc.contributor.authorPuiggalĂ­ I Jou, Jordi-
dc.coverage.spatialES Tarragona-
dc.date.accessioned2022-11-11T15:59:49Z-
dc.date.available2023-07-25T13:27:43Z-
dc.date.created2022-11-11T16:59:47.645+01:00-
dc.date.issued2022-11-11T16:59:47.645+01:00-
dc.identifier.urihttps://iochem-bd.urv.es/browse/handle/100/1092-
dc.descriptionTransition state consisting on the hydrogenation of the benzyl ortho position while the cleaved Ta-S bond is recovered obtaining the Ta(IV)-Ta(IV) complex 7-
dc.publisherUniversitat Rovira i Virgili-
dc.relationOriginal title: Reductive Hydrogenation on Sulfido-Bridged Tantalum Complexes: A Mechanistic Insight DOI: 10.1021/acs.inorgchem.3c00043 Journal: Inorg. Chem.*
dc.relation.urihttp://dx.doi.org/10.1021/acs.inorgchem.3c00043*
dc.rightsCC BY 4.0 (c) Universitat Rovira i Virgili, 2022-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectReductive Hydrogenation-
dc.subjectSulfido-
dc.subjectTantalum-
dc.titleTa_Sulfido_TSD7-
dc.typedataset-
dc.date.updated2022-11-11T15:59:49Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevA.03en
cml.methodRPBE1PBEen
cml.basissetLANL2DZ 6-31G(D,P) GENECPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-1962.53810242en
cml.energy.unitsEhen
cml.formula.genericC27H38S2Ta2en
cml.calculationtypeGeometry optimization TSen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Ta_Sulfido_Study



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