Comparative ab initio/GIAO-CCSD(T) study of protonated propionaldehyde, isobutyraldehyde and pivalaldehyde cations and their superelectrophilic diprotonated dications

Journal of Molecular Structure

Volumn 890, Issue 1-3, 2008, Pages 9-17

  Olah, George A ^a   Prakash, G K Surya ^a   Rasul, Golam ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

Ab initio; Cation; Dication; Pivalaldehyde; Superelectrophile

Indexed keywords

ALDEHYDES; CHEMICAL SHIFT; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORGANIC COMPOUNDS; POSITIVE IONS;

AB INITIO; CATION; DICATION; PIVALALDEHYDE; SUPERELECTROPHILE;

PROTONS;

EID: 54049144340     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2007.11.057     Document Type: Article

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