Journal article
Turning a New Leaf on Metal-TMC Chemistry: Ni-II(TMC) Acetylides
Inorganic chemistry, Vol.54(20), pp.10058-10064
10/19/2015
DOI: 10.1021/acs.inorgchem.5b01883
PMID: 26414398
Abstract
Novel [Ni(TMC)C CY](+)-type compounds 1-4 [TMC = 1,4,8,11-tetramethy1-1,4,8,11-tetraazacyclotetradecane; Y = SiMe3 (1), (SiPr3)-Pr-i (2), Ph (3), and C2H (4)] have been synthesized and characterized. Single-crystal X-ray diffraction studies revealed that these compounds adopt a distorted squarepyramidal geometry, with the acetylide ligand occupying the apical position and a RSRS isomer for the TMC ligand. The room temperature magnetic properties of 1-4 are consistent with an S = 1 ground state, as corroborated by CASSCF and density functional theory calculations, which indicate that the singly occupied molecular orbitals are d(z)(2) and d(x2-y2).
Details
- Title: Subtitle
- Turning a New Leaf on Metal-TMC Chemistry: Ni-II(TMC) Acetylides
- Creators
- Sarah F. Tyler - Purdue University West LafayetteSean N. Natoli - Purdue University West LafayetteBess Vlaisavljevich - University of California, BerkeleyPhillip E. Fanwick - Purdue University West LafayetteTong Ren - Purdue University West Lafayette
- Resource Type
- Journal article
- Publication Details
- Inorganic chemistry, Vol.54(20), pp.10058-10064
- Publisher
- Amer Chemical Soc
- DOI
- 10.1021/acs.inorgchem.5b01883
- PMID
- 26414398
- ISSN
- 0020-1669
- eISSN
- 1520-510X
- Number of pages
- 7
- Grant note
- CHE 1362214 / National Science Foundation; National Science Foundation (NSF) 1362214 / Direct For Mathematical & Physical Scien; Division Of Chemistry; National Science Foundation (NSF); NSF - Directorate for Mathematical & Physical Sciences (MPS)
- Language
- English
- Date published
- 10/19/2015
- Academic Unit
- Chemistry
- Record Identifier
- 9984618527002771
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