ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
output.cmlDownload
Referenced by:

Manuscript title: Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations

Journal: Inorg. Chem.

DOI: 10.1021/ic301758k

Full metadata record
DC FieldValueLanguage
dc.contributor.authorPye, Cory
dc.date.accessioned2025-06-24T20:31:24Z-
dc.date.available2025-06-24T22:29:46.796087+02:00
dc.date.available2025-06-24T20:31:24Z-
dc.date.created2025-06-24T22:29:46.796087+02:00
dc.date.issued2025-06-24T22:29:46.796087+02:00
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/451991-
dc.description.abstractbis-PEtAm2_C2_4_4
dc.publisherSaint Mary's University
dc.relationOriginal title: Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations DOI: 10.1021/ic301758k Journal: Inorg. Chem.
dc.relation.ispartofInorg. Chem.
dc.relation.urihttp://dx.doi.org/10.1021/ic301758k
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2025
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectRadicals
dc.subjectphosphinyl
dc.subjectPhosphorus heterocycles
dc.subjectDimerization
dc.title/bis-PEtAm2 bis-PEtAm2_C2_4_4
dc.typedataset
cml.program.nameGaussian
cml.program.version03
cml.program.otherAM64L-G03RevD.02
cml.spintypeRestricted
cml.energy.value-1061.35075560
cml.energy.unitsEh
cml.formula.genericC4H12N4P2
cml.calculationtypeSingle point Structure
cml.hassolventfalse
cml.hasvibrationalfrequenciesfalse
cml.numberofjobs1
cml.hasmolecularorbitalsfalse
Appears in Collections:bis-PR2



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/451991

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License