{"title":"羟基磷灰石和氟磷灰石的光谱结构相关性","authors":"C.B. Baddiel, E.E. Berry","doi":"10.1016/0371-1951(66)80133-9","DOIUrl":null,"url":null,"abstract":"<div><p>The infra-red spectra of synthetic hydroxyapatite, Ca<sub>10</sub>(PO<sub>4</sub>)<sub>6</sub>(OH)<sub>2</sub>, and mineral fluorapatite, Ca<sub>10</sub>(PO<sub>4</sub>)<sub>6</sub>F<sub>2</sub>, over the range 4000-250 cm<sup>−1</sup> are reported. Comparison with the “free” phosphate ion indicates considerable perturbation of the PO<sub>4</sub><sup>3−</sup> group in these solids; the observed absorptions suggest that in both compounds the phosphate symmetry is lowered to the extent predicted by a site symmetry analysis i.e. to <em>C</em><sub>1</sub> in hydroxyapatite and <em>C<sub>s</sub></em> in fluorapatite, but the splitting of degenerate modes is not complete; this effect is more noticeable in fluorapatite. A weak interatomic crystal field arising out of the relatively low density of the atomic packing in these compounds is suggested as a cause of this incomplete removal of degeneracies. The spectroscopic evidence for the existence of hydrogen bonding of the OH … OPO<sub>3</sub> type in hydroxyapatite is discussed.</p></div>","PeriodicalId":101180,"journal":{"name":"Spectrochimica Acta","volume":"22 8","pages":"Pages 1407-1416"},"PeriodicalIF":0.0000,"publicationDate":"1966-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0371-1951(66)80133-9","citationCount":"201","resultStr":"{\"title\":\"Spectra structure correlations in hydroxy and fluorapatite\",\"authors\":\"C.B. Baddiel, E.E. Berry\",\"doi\":\"10.1016/0371-1951(66)80133-9\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The infra-red spectra of synthetic hydroxyapatite, Ca<sub>10</sub>(PO<sub>4</sub>)<sub>6</sub>(OH)<sub>2</sub>, and mineral fluorapatite, Ca<sub>10</sub>(PO<sub>4</sub>)<sub>6</sub>F<sub>2</sub>, over the range 4000-250 cm<sup>−1</sup> are reported. Comparison with the “free” phosphate ion indicates considerable perturbation of the PO<sub>4</sub><sup>3−</sup> group in these solids; the observed absorptions suggest that in both compounds the phosphate symmetry is lowered to the extent predicted by a site symmetry analysis i.e. to <em>C</em><sub>1</sub> in hydroxyapatite and <em>C<sub>s</sub></em> in fluorapatite, but the splitting of degenerate modes is not complete; this effect is more noticeable in fluorapatite. A weak interatomic crystal field arising out of the relatively low density of the atomic packing in these compounds is suggested as a cause of this incomplete removal of degeneracies. The spectroscopic evidence for the existence of hydrogen bonding of the OH … OPO<sub>3</sub> type in hydroxyapatite is discussed.</p></div>\",\"PeriodicalId\":101180,\"journal\":{\"name\":\"Spectrochimica Acta\",\"volume\":\"22 8\",\"pages\":\"Pages 1407-1416\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1966-08-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/0371-1951(66)80133-9\",\"citationCount\":\"201\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectrochimica Acta\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/0371195166801339\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectrochimica Acta","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/0371195166801339","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Spectra structure correlations in hydroxy and fluorapatite
The infra-red spectra of synthetic hydroxyapatite, Ca10(PO4)6(OH)2, and mineral fluorapatite, Ca10(PO4)6F2, over the range 4000-250 cm−1 are reported. Comparison with the “free” phosphate ion indicates considerable perturbation of the PO43− group in these solids; the observed absorptions suggest that in both compounds the phosphate symmetry is lowered to the extent predicted by a site symmetry analysis i.e. to C1 in hydroxyapatite and Cs in fluorapatite, but the splitting of degenerate modes is not complete; this effect is more noticeable in fluorapatite. A weak interatomic crystal field arising out of the relatively low density of the atomic packing in these compounds is suggested as a cause of this incomplete removal of degeneracies. The spectroscopic evidence for the existence of hydrogen bonding of the OH … OPO3 type in hydroxyapatite is discussed.
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