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  Analysis of the 13C chemical shift tensor in CO, Ni(CO)4, and Fe(CO)5 and its relationship to π‐back bonding

Mahnke, H., Sheline, R. K., & Spiess, H. W. (1974). Analysis of the 13C chemical shift tensor in CO, Ni(CO)4, and Fe(CO)5 and its relationship to π‐back bonding. The Journal of Chemical Physics, 61(1), 55-60. doi:10.1063/1.1681670.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-002D-E549-0 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-002D-E54A-E
Genre: Journal Article

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JChemPhys_61_1974_55.pdf (Any fulltext), 441KB
 
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http://aip.scitation.org/doi/pdf/10.1063/1.1681670 (Any fulltext)
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http://dx.doi.org/10.1063/1.1681670 (Any fulltext)
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 Creators:
Mahnke, H., Author
Sheline, R. K., Author
Spiess, Hans W.1, Author           
Affiliations:
1Emeritus Group Spiess: Polymer Spectroscopy, MPI for Polymer Research, Max Planck Society, ou_1800296              

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 Abstract: Components of the 13C shielding tensor. σ are presented for CO, Ni(CO)4, and Fe(CO)5. These shift components are separated into diamagnetic and paramagnetic parts using theoretical estimates for the former and spin rotation constants for the latter. The paramagnetic part of the perpendicular component of the chemical shift σp is shown to be mainly responsible for the large isotropic shift between free CO and metal bound CO. This fact is interpreted in terms of π‐back bonding in the metal carbonyls.

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Language(s): eng - English
 Dates: 1974-03-082003-081974
 Publication Status: Issued
 Pages: 6
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1063/1.1681670
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Title: The Journal of Chemical Physics
  Other : J. Chem. Phys.
Source Genre: Journal
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Publ. Info: Woodbury, N.Y. : American Institute of Physics
Pages: - Volume / Issue: 61 (1) Sequence Number: - Start / End Page: 55 - 60 Identifier: ISSN: 0021-9606
CoNE: https://pure.mpg.de/cone/journals/resource/954922836226