Why does pivalaldehyde (trimethylacetaldehyde) unexpectedly seem more basic than 1-adamantanecarbaldehyde in the gas phase? FT-ICR and high-level ab initio studies

Chemistry - A European Journal

Volumn 11, Issue 6, 2005, Pages 1826-1832

  Quintanilla, Esther ^a   Dávalos, Juan Z ^a   Abboud, José Luis M ^a   Alcamí, Manuel ^b   Cabildo, M Pilar ^c   Claramunt, Rosa M ^c   Elguero, José ^d   Mó, Otilia ^b   Yáñez, Manuel ^b  

^a INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO   (Spain)

^b UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^c UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA   (Spain)

^d INSTITUTO DE QUÍMICA MÉDICA   (Spain)

Author keywords

Ab initio calculations; Cations; Gas phase reactions; Ion molecule reactions; Isomerization

Indexed keywords

CATALYSIS; COMPUTATIONAL METHODS; CYCLOTRON RESONANCE; ISOMERIZATION; KETONES; METHANE; REACTION KINETICS; SOLUTIONS; SPECTROSCOPIC ANALYSIS;

COLLISION-INDUCED DISSOCIATION (CID) METHODOLOGY; DENSITY FUNCTIONAL THEORY (DFT); FOURIER TRANSFORM ION CYCLOTRON RESONANCE SPECTROSCOPY (FT ICR); GAS-PHASE PROTONATION; PIVALADEHYDE;

ALDEHYDES;

1 ADAMANTANECARBALDEHYDE; ACETALDEHYDE; KETONE DERIVATIVE; METHYLISOPROPYL KETONE; PIVALALDEHYDE; PIVALIC ACID; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; COLLISIONALLY ACTIVATED DISSOCIATION; DENSITY FUNCTIONAL THEORY; ION CYCLOTRON RESONANCE MASS SPECTROMETRY; ISOMERIZATION; PROTON TRANSPORT; SYNTHESIS;

EID: 15044364143     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200400781     Document Type: Article

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