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231223s2004 xx ||||| 00| ||eng c |
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|a (DE-627)NLM150414404
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|a (NLM)15366055
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|a DE-627
|b ger
|c DE-627
|e rakwb
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|a eng
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|a Contreras, Rubén H
|e verfasserin
|4 aut
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|a Influence of sigma-hyperconjugative interactions on 13C substituent chemical shifts
|b experimental and theoretical study in 1-X,3-CH3-bicyclo[1.1.1]pentanes
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|c 2004
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|a Text
|b txt
|2 rdacontent
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|a ohne Hilfsmittel zu benutzen
|b n
|2 rdamedia
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|a Band
|b nc
|2 rdacarrier
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|a Date Completed 14.04.2005
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|a Date Revised 14.09.2004
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|a published: Print
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|a Citation Status PubMed-not-MEDLINE
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|a Copyright 2004 John Wiley & Sons, Ltd.
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|a (13)C chemical shifts were measured for 18 1-X,3-CH(3)-bicyclo[1.1.1]pentanes and the corresponding (13)C substituent chemical shifts (SCSs) were compared with those measured previously for the corresponding 1-X-bicyclo[1.1.1]pentanes. DFT-B3LYP calculations of GIAO magnetic shielding constants and of natural bond orbitals were carried out in order to gain an insight into factors defining the observed differences in (13)C SCSs in both series. These differences are rationalized in terms of substituent effects on sigma-hyperconjugative interactions
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|a Journal Article
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|a Esteban, Angel L
|e verfasserin
|4 aut
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| 700 |
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|a Díez, Ernesto
|e verfasserin
|4 aut
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| 700 |
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|a Della, Ernest W
|e verfasserin
|4 aut
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| 700 |
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|a Lochert, Ian J
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Magnetic resonance in chemistry : MRC
|d 1985
|g 42 Spec no(2004) vom: 18. Okt., Seite S202-6
|w (DE-627)NLM098179667
|x 1097-458X
|7 nnns
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| 773 |
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|g volume:42 Spec no
|g year:2004
|g day:18
|g month:10
|g pages:S202-6
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|a GBV_USEFLAG_A
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|a GBV_ILN_350
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|a AR
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|d 42 Spec no
|j 2004
|b 18
|c 10
|h S202-6
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