A Bjerrum defect is a crystallographic defect which is specific to ice, and which is partly responsible for the electrical properties of ice.[1] It was first proposed by Niels Bjerrum in 1952 in order to explain the electrical polarization of ice in an electric field.[2] A hydrogen bond normally has one proton, but a hydrogen bond with a Bjerrum defect will have either two protons (D defect, from "doppel" in German, meaning "double"[3]) or no proton (L defect, from "leer" in German, meaning "empty"[3]). D-defects are more energetically favorable than L-defects.[4] The unfavorable defect strain is resolved when a water molecule pivots about an oxygen atom to produce hydrogen bonds with single protons. Dislocations of ice Ih along a slip plane create pairs of Bjerrum defects, one D defect and one L defect.[5]
Nonpolar molecules such as methane can form clathrate hydrates with water, especially under high pressure. Although there is no hydrogen bonding of water molecules when methane is the guest molecule of the clathrate, guest-host hydrogen bonding often forms with guest molecules in clathrates of many larger organic molecules, such as pinacolone and tetrahydrofuran. In such cases the guest-host hydrogen bonds result in the formation of L-type Bjerrum defect in the clathrate lattice.[6] Oxygen atoms (in alcohol or carbonyl functional groups) and nitrogen atoms (in amine functional groups) in the guest molecules lead to transient hydrogen bonds and misoriented water molecules in the hydrate lattice.[7]
^David E. Stillman & Robert E. Grimm (2008). "Electrical properties of ice and implications for solar system exploration" (PDF). XXXIX. Lunar and Planetary Science. Retrieved 2010-09-09.
^Bjerrum, N. (11 April 1952). "Structure and Properties of Ice". Science. 115 (2989): 385–390. Bibcode:1952Sci...115..385B. doi:10.1126/science.115.2989.385. PMID 17741864.
^ abSugimoto Y (2022). "Seeing how ice breaks the rule". Science. 377 (6603): 264–265. doi:10.1126/science.add0841. PMID 35857600.
^Head, School of Earth Sciences (March 15, 2004). . School of Earth Sciences - The University of Melbourne - Australia. Archived from the original on July 10, 2010. Retrieved 2010-09-09.
^Alavi S, Susilo R, Ripmeester JA (2009). "Linking microscopic guest properties to macroscopic observables in clathrate hydrates: guest-host hydrogen bonding" (PDF). Journal of Chemical Physics. 130 (17): 174501. Bibcode:2009JChPh.130q4501A. doi:10.1063/1.3124187. PMID 19425784.
^Alavi S, Udachin K, Ripmeester JA (2010). "Effect of guest-host hydrogen bonding on the structures and properties of clathrate hydrates". Chemistry: A European Journal. 16 (3): 1017–1025. doi:10.1002/chem.200902351. PMID 19946907.
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bjerrum, defect, crystallographic, defect, which, specific, which, partly, responsible, electrical, properties, first, proposed, niels, bjerrum, 1952, order, explain, electrical, polarization, electric, field, hydrogen, bond, normally, proton, hydrogen, bond, . A Bjerrum defect is a crystallographic defect which is specific to ice and which is partly responsible for the electrical properties of ice 1 It was first proposed by Niels Bjerrum in 1952 in order to explain the electrical polarization of ice in an electric field 2 A hydrogen bond normally has one proton but a hydrogen bond with a Bjerrum defect will have either two protons D defect from doppel in German meaning double 3 or no proton L defect from leer in German meaning empty 3 D defects are more energetically favorable than L defects 4 The unfavorable defect strain is resolved when a water molecule pivots about an oxygen atom to produce hydrogen bonds with single protons Dislocations of ice Ih along a slip plane create pairs of Bjerrum defects one D defect and one L defect 5 Nonpolar molecules such as methane can form clathrate hydrates with water especially under high pressure Although there is no hydrogen bonding of water molecules when methane is the guest molecule of the clathrate guest host hydrogen bonding often forms with guest molecules in clathrates of many larger organic molecules such as pinacolone and tetrahydrofuran In such cases the guest host hydrogen bonds result in the formation of L type Bjerrum defect in the clathrate lattice 6 Oxygen atoms in alcohol or carbonyl functional groups and nitrogen atoms in amine functional groups in the guest molecules lead to transient hydrogen bonds and misoriented water molecules in the hydrate lattice 7 See also editIce rulesReferences edit David E Stillman amp Robert E Grimm 2008 Electrical properties of ice and implications for solar system exploration PDF XXXIX Lunar and Planetary Science Retrieved 2010 09 09 Bjerrum N 11 April 1952 Structure and Properties of Ice Science 115 2989 385 390 Bibcode 1952Sci 115 385B doi 10 1126 science 115 2989 385 PMID 17741864 a b Sugimoto Y 2022 Seeing how ice breaks the rule Science 377 6603 264 265 doi 10 1126 science add0841 PMID 35857600 Watkins M VandeVondele J Slater B 2010 Point defects at the ice 0001 surface Proceedings of the National Academy of Sciences of the United States of America 107 28 12429 31244 doi 10 1073 pnas 1001087107 PMC 2906571 PMID 20615938 Head School of Earth Sciences March 15 2004 Dislocations School of Earth Sciences The University of Melbourne Australia Archived from the original on July 10 2010 Retrieved 2010 09 09 Alavi S Susilo R Ripmeester JA 2009 Linking microscopic guest properties to macroscopic observables in clathrate hydrates guest host hydrogen bonding PDF Journal of Chemical Physics 130 17 174501 Bibcode 2009JChPh 130q4501A doi 10 1063 1 3124187 PMID 19425784 Alavi S Udachin K Ripmeester JA 2010 Effect of guest host hydrogen bonding on the structures and properties of clathrate hydrates Chemistry A European Journal 16 3 1017 1025 doi 10 1002 chem 200902351 PMID 19946907 nbsp This glaciology article is a stub You can help Wikipedia by expanding it vte nbsp This crystallography related article is a stub You can help Wikipedia by expanding it vte nbsp This electrochemistry related article is a stub You can help Wikipedia by expanding it vte Retrieved from https en wikipedia org w index php title Bjerrum defect amp oldid 1180842451, wikipedia, wiki, book, books, library,
