Double proton transfer in crystals of 1,3,4,6,7,8-hexahydro-2H-pyrimido[1, 2-a] pyrimidine (hppH):13C and15N CPMAS NMR study of (hppH)2

Journal of Physical Organic Chemistry

Volumn 23, Issue 6, 2010, Pages 526-535

  Coles, Martyn P ^a   Khalaf, Majid S ^a   Claramunt, Rosa M ^b   Garća, M Angeles ^b   Alkorta, Ibon ^c   Elguero, José ^c  

^a UNIVERSITY OF SUSSEX   (United Kingdom)

^b UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA   (Spain)

^c INSTITUTO DE QUÍMICA MÉDICA   (Spain)

Author keywords

B3LYP 6 311++G(d,p); CPMAS NMR; Guanidines; Hydrogen bond; proton transfer

Indexed keywords

B3LYP/6-311++G(D,P); CPMAS NMR; DOUBLE PROTON TRANSFER; THEORETICAL CALCULATIONS;

ACTIVATION ENERGY; HYDROGEN; HYDROGEN BONDS; SELF ASSEMBLY; X RAY CRYSTALLOGRAPHY;

PROTON TRANSFER;

EID: 77952894210     PISSN: 08943230     EISSN: 10991395     Source Type: Journal    
DOI: 10.1002/poc.1636     Document Type: Article

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