Statistics-based design of multicomponent molecular crystals with the three-center hydrogen bond

Sagi Eppel; Joel Bernstein

doi:10.1021/cg8002788

Statistics-based design of multicomponent molecular crystals with the three-center hydrogen bond

Sagi Eppel, Joel Bernstein

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

28 Scopus citations

Abstract

A statistical survey was carried out to determine the probability for combinations of specific CO and NH groups to form a three-center hydrogen bond between one CO and two NH groups. The results show significantly higher probabilities for charged CO^- groups. These results were utilized to prepare six multicomponent crystals that exploit the three-center hydrogen bond mainly through the R₄²(8) motif.

Original language	English
Pages (from-to)	1683-1691
Number of pages	9
Journal	Crystal Growth and Design
Volume	9
Issue number	4
DOIs	https://doi.org/10.1021/cg8002788
State	Published - 1 Apr 2009

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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10.1021/cg8002788

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abstract = "A statistical survey was carried out to determine the probability for combinations of specific CO and NH groups to form a three-center hydrogen bond between one CO and two NH groups. The results show significantly higher probabilities for charged CO- groups. These results were utilized to prepare six multicomponent crystals that exploit the three-center hydrogen bond mainly through the R42(8) motif.",

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AB - A statistical survey was carried out to determine the probability for combinations of specific CO and NH groups to form a three-center hydrogen bond between one CO and two NH groups. The results show significantly higher probabilities for charged CO- groups. These results were utilized to prepare six multicomponent crystals that exploit the three-center hydrogen bond mainly through the R42(8) motif.

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Statistics-based design of multicomponent molecular crystals with the three-center hydrogen bond

Abstract

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