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Volumn 114, Issue 9, 2014, Pages 4838-4867

Indirect nonbonded nuclear spin-spin coupling: A guide for the recognition and understanding of "through-space" NMR J constants in small organic, organometallic, and coordination compounds

Author keywords

[No Author keywords available]

Indexed keywords

ORGANIC COMPOUND; ORGANOMETALLIC COMPOUND; SPIN LABELING;

EID: 84900384063     PISSN: 00092665     EISSN: 15206890     Source Type: Journal    
DOI: 10.1021/cr400330g     Document Type: Review
Times cited : (139)

References (221)
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    • See refs 78, 80, 107, 108, 144, 149 and 150 listed in Table 1
    • See refs 78, 80, 107, 108, 144, 149 and 150 listed in Table 1.
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    • The coupling of equivalent spins splits the energy level but not the signals as the transitions have the same energy. In quantum mechanical terms the observation of a splitting in the resonance of equivalent nuclei would involve transition between symmetric and antisymmetric states which are strictly forbidden
    • The coupling of equivalent spins splits the energy level but not the signals as the transitions have the same energy. In quantum mechanical terms the observation of a splitting in the resonance of equivalent nuclei would involve transition between symmetric and antisymmetric states which are strictly forbidden.
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    • These values are approximately 0.05 Å smaller than the ones found by single-crystal X-ray analysis for representative samples
    • These values are approximately 0.05 Å smaller than the ones found by single-crystal X-ray analysis for representative samples.
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    • Hyperconjugative interactions were evaluated within the NBO approach using the same level of theory as that employed for calculating spin-spin coupling constants (DFT-B3LYP-6-311-G* */ EPR-III level)
    • Hyperconjugative interactions were evaluated within the NBO approach using the same level of theory as that employed for calculating spin-spin coupling constants (DFT-B3LYP-6-311-G* */ EPR-III level).
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    • Other pertinent studies of proximate JFH transmitted through the H bond are available, see
    • Other pertinent studies of proximate JFH transmitted through the H bond are available, see: Del Bene, J. E.; Perera, S. A.; Bartlett, R. J. J. Am. Chem. Soc. 2000, 122, 3560.
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    • For a detailed discussion see ref 12.
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    • In addition, in the case of the asymmetric azolates mpz and indz, head-to-head and head-to-tail arrangement of the two bridges can exist
    • In addition, in the case of the asymmetric azolates mpz and indz, head-to-head and head-to-tail arrangement of the two bridges can exist.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.