Triple proton transfer in crystalline 3,5-dibromo-1H-1,2,4-triazole and 3,5-dichloro-1H-1,2,4-triazole studied by variable-temperature 15N NMR and ab initio calculations

Magnetic Resonance in Chemistry

Volumn 38, Issue 7, 2000, Pages 604-614

  García, María Angeles ^a   López, Concepcíon ^a   Peters, Olaf ^a   Claramunt, Rosa M ^a   Klein, Oliver ^b   Schagen, David ^b   Limbach, Hans Heinrich ^b   Foces Foces, Concepción ^c   Elguero, José ^d  

^a UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA   (Spain)

^b FREIE UNIVERSITÄT BERLIN   (Germany)

^c INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO   (Spain)

^d INSTITUTO DE QUÍMICA MÉDICA   (Spain)

Author keywords

1,2,4 triazoles, solid state; Ab initio calculations; Cross polarization magic angle spinning NMR; NMR; Triple proton transfer

Indexed keywords

EQUILIBRIUM CONSTANTS; HYDROGEN BONDS; MAGIC ANGLE SPINNING; NITROGEN; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OLIGOMERS; POLARIZATION; RATE CONSTANTS;

1,2,4-TRIAZOLE, SOLID STATE; AB INITIO CALCULATIONS; CROSS POLARIZATION MAGIC-ANGLE SPINNINGS; CROSS-POLARIZATION MAGIC ANGLE SPINNING NMR; CROSS-POLARIZATION/MAGIC ANGLE SPINNINGS; CYCLIC TRIMERS; MAGIC-ANGLE-SPINNING NMR; PROTON TRANSFER PROCESS; TRIPLE PROTON TRANSFER; VARIABLE TEMPERATURE;

PROTON TRANSFER;

EID: 0034214661     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/1097-458x(200007)38:7<604::aid-mrc682>3.0.co;2-v     Document Type: Article

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