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Volumn 56, Issue 34, 2017, Pages 10127-10131

Orbital Analysis of Carbon-13 Chemical Shift Tensors Reveals Patterns to Distinguish Fischer and Schrock Carbenes

Author keywords

2 component calculations; carbenes; chemical shift anisotropy; natural chemical shift analysis; solid state NMR spectroscopy

Indexed keywords

CARBON; CHEMICAL ANALYSIS; LIGHT POLARIZATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORGANIC COMPOUNDS; PARAMAGNETISM; TENSORS;

EID: 85026359506     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201701537     Document Type: Article
Times cited : (57)

References (60)
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    • Kaupp et al. have discussed the difference between complexes with various types of doubly bonded carbons, in particular geminal dianions bound to metal centers, see
    • Kaupp et al. have discussed the difference between complexes with various types of doubly bonded carbons, in particular geminal dianions bound to metal centers, see: V. H. Gessner, F. Meier, D. Uhrich, M. Kaupp, Chem. Eur. J. 2013, 19, 16729.
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    • Selected solid-state NMR and computational studies for transition metal species
    • Selected solid-state NMR and computational studies for transition metal species:
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    • The separation into diamagnetic and paramagnetic parts has no physical meaning as the terms can be rebalanced within a constant by choice of a different gauge origin. However, within a given choice of gauge origin, the relative variations of these two parts and their respective per-MO contributions are representative of a given species and thus meaningful to chemists
    • C. M. Widdifield, R. W. Schurko, Concepts Magn. Reson. A 2009, 34, 91. The separation into diamagnetic and paramagnetic parts has no physical meaning as the terms can be rebalanced within a constant by choice of a different gauge origin. However, within a given choice of gauge origin, the relative variations of these two parts and their respective per-MO contributions are representative of a given species and thus meaningful to chemists.
    • (2009) Concepts Magn. Reson. A , vol.34 , pp. 91
    • Widdifield, C.M.1    Schurko, R.W.2
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    • The analysis proposed in references [11b–d] includes the spin-orbit effects which appear as contributions from empty orbitals in the NLMOs
    • The analysis proposed in references [11b–d] includes the spin-orbit effects which appear as contributions from empty orbitals in the NLMOs.
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    • Related MO analysis of chemical shifts in main group molecules:
    • Related MO analysis of chemical shifts in main group molecules:


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.