Variable Temperature Neutron Diffraction Analysis of a Very Short OH⊙⊙⊙ O Hydrogen Bond in 2, 3, 5, 6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted …

P Vishweshwar, N Jagadeesh Babu…

Index: Vishweshwar, Peddy; Babu, N. Jagadeesh; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K. Journal of Physical Chemistry A, 2004 , vol. 108, # 43 p. 9406 - 9416

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Citation Number: 67

Abstract

Very short OH⊙⊙⊙ O hydrogen bonds (O⊙⊙⊙ O= 2.2-2.5 Å) usually occur when the H- bond is stabilized by a negative or positive charge (OH⊙⊙⊙ O-, O+ H⊙⊙⊙ O) or by resonance assistance (⊙⊙⊙ OCCCOH⊙⊙⊙). We have characterized a very short inter molecular Oacid H⊙⊙⊙ Owater hydrogen bond in the title crystal structure, 1, by variable temperature neutron diffraction (O⊙⊙⊙ O= 2.4751 (11), 2.4765 (10), 2.4807 (12), and ...