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https://riquim.fq.edu.uy/files/original/6a287d964e2e098d3209c3a71f6e6388.pdf
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https://riquim.fq.edu.uy/files/original/1f7b5bc26eceb7ff29d972f0538a34a6.jpg
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Bibliografía Nacional Química
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Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha.
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Departamento de Documentación y Biblioteca
RIQUIM
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<strong>Four interpenetrating hydrogen-bonded three-dimensional networks in divanillin.</strong>
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QUIMICA COMPUTACIONAL
LIGNINA
DIVANILINA
CALCULO DFT-D
ESTRUCTURA CRISTALINA
BIBLIOGRAFIA NACIONAL QUIMICA
2018
Abstract
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The crystal structure of divainillin (systematic name: 6,6′-dihy­droxy-5,5′-di­meth­oxy-[1,1′-biphen­yl]-3,3′-dicarbaldehyde), C16H14O6, was determined from laboratory powder X-ray diffraction data using the software EXPO2013 (direct methods) and WinPSSP (direct-space approach). Divanillin mol­ecules crystallize in the ortho­rhom­bic space group Pba2 (No. 32), with two mol­ecules per unit cell (Z′ = 1 \over 2). Each divanillin mol­ecule, with twofold symmetry, is linked through strong alcohol–aldehyde hydrogen bonds to four equivalent mol­ecules, defining a three-dimensional hydrogen-bonding network, with rings made up of six divanillin units (a diamond-like arrangement). Each mol­ecule is also connected through π–π inter­actions to a translation-equivalent mol­ecule along c. Four consecutive mol­ecules stacked along [001] belong to four different three-dimensional hydrogen-bonding networks defining a quadruple array of inter­penetrating networks. This complex hydrogen-bonding array is proposed as an explanation for the aging process experienced by divanillin powders.
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<strong>Imer, M. R</strong>
<strong>Aldabalde, Virginia</strong>
<strong>Pagola, S.</strong>
<strong>Streek, J. V. D.</strong>
<a title="Curriculum Vitae" href="https://exportcvuy.anii.org.uy/CvEstatico/?urlId=a6f6b983eb02f40fe8e9784a71115fd267d30ff3d5997288d688b4c247e99d4e992cc6c5f422970aefe50e0211ce803a6f4322d3eda65e95887a20dd9a4e39fd&formato=pdf&convocatoria=21" target="_self"><strong>Suescun, Leopoldo</strong></a>
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Acta Crystallographica Section C: Structural Chemistry v. 74, no. 12, 2018. -- p. 1768-1773
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International Union of Crystallography
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2018
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<p><strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora.</p>
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DOI:10.1107/S2053229618016200
Calculos DFT-D
Divanilina
Estructura cristalina
Lignina
Química computacional