{"title":"铬(iii)与胱氨酸和乙基甘氨酸配合物的结构","authors":"Lina A. Chernushenko, Anastasiya V. Kislicina","doi":"10.15421/081318","DOIUrl":null,"url":null,"abstract":"It has been investigated the electronic spectra of complex compounds of chromium(III) with amino acids as bidentate coordinated in compound (I) and as monodentate coordinated in compound (II) in solution. Three-ethyl glycinate and three-cystinate have the octahedral structure. Two bands of transition were observed in the visible part of the spectrum 4 Т 1g ¬ 4 A 2g and 4 Т 2g ¬ 4 A 2g , one band of transition was observed in UV- spectrum, 4 Т 1g (Р)¬ 4 A 2g . It was submitted the results of calculations of crystal field parameters: Dq = 1790 cm -1 , В = 560.57 cm -1 and b = 0.54 for compound (I), Dq = 1786 cm -1 , В = 504.53sm -1 and b = 0.49 for compound (II). The computer three-dimensional models of structure of such chromium(III) complexes as three-cystinate chromium (III) and three-chromium glycinate were created. Quantum-chemical modeling programs Chemcraft and WinGAMESS were used. Angles and bond lengths were calculated.","PeriodicalId":31165,"journal":{"name":"Visnik Dnipropetrovs''kogo Universitetu Seria Himia","volume":"21 1","pages":"54-58"},"PeriodicalIF":0.0000,"publicationDate":"2014-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"THE STRUCTURES OF COMPLEXES OF CHROMIUM(III) WITH CYSTINE AND ETHYLGLYCINE\",\"authors\":\"Lina A. Chernushenko, Anastasiya V. Kislicina\",\"doi\":\"10.15421/081318\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"It has been investigated the electronic spectra of complex compounds of chromium(III) with amino acids as bidentate coordinated in compound (I) and as monodentate coordinated in compound (II) in solution. Three-ethyl glycinate and three-cystinate have the octahedral structure. Two bands of transition were observed in the visible part of the spectrum 4 Т 1g ¬ 4 A 2g and 4 Т 2g ¬ 4 A 2g , one band of transition was observed in UV- spectrum, 4 Т 1g (Р)¬ 4 A 2g . It was submitted the results of calculations of crystal field parameters: Dq = 1790 cm -1 , В = 560.57 cm -1 and b = 0.54 for compound (I), Dq = 1786 cm -1 , В = 504.53sm -1 and b = 0.49 for compound (II). The computer three-dimensional models of structure of such chromium(III) complexes as three-cystinate chromium (III) and three-chromium glycinate were created. Quantum-chemical modeling programs Chemcraft and WinGAMESS were used. Angles and bond lengths were calculated.\",\"PeriodicalId\":31165,\"journal\":{\"name\":\"Visnik Dnipropetrovs''kogo Universitetu Seria Himia\",\"volume\":\"21 1\",\"pages\":\"54-58\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2014-03-28\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Visnik Dnipropetrovs''kogo Universitetu Seria Himia\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.15421/081318\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Visnik Dnipropetrovs''kogo Universitetu Seria Himia","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.15421/081318","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
研究了铬(III)与氨基酸配合物在溶液中的电子能谱,它们在化合物(I)中呈双齿配位,在化合物(II)中呈单齿配位。甘氨酸三乙酯和半胱氨酸三乙酯具有八面体结构。在可见光谱4 Т 1g¬4a2g和4 Т 2g¬4a2g中观察到两个跃迁带,在紫外光谱4 Т 1g (Р)¬4a2g中观察到一个跃迁带。提交了晶体场参数的计算结果:化合物(I)的Dq = 1790 cm -1, В = 560.57 cm -1和b = 0.54,化合物(II)的Dq = 1786 cm -1, В = 504.53sm -1和b = 0.49。建立了三胱氨酸铬(III)和三甘氨酸铬(III)等铬(III)配合物的计算机三维结构模型。使用了量子化学建模程序Chemcraft和WinGAMESS。计算了角度和键长。
THE STRUCTURES OF COMPLEXES OF CHROMIUM(III) WITH CYSTINE AND ETHYLGLYCINE
It has been investigated the electronic spectra of complex compounds of chromium(III) with amino acids as bidentate coordinated in compound (I) and as monodentate coordinated in compound (II) in solution. Three-ethyl glycinate and three-cystinate have the octahedral structure. Two bands of transition were observed in the visible part of the spectrum 4 Т 1g ¬ 4 A 2g and 4 Т 2g ¬ 4 A 2g , one band of transition was observed in UV- spectrum, 4 Т 1g (Р)¬ 4 A 2g . It was submitted the results of calculations of crystal field parameters: Dq = 1790 cm -1 , В = 560.57 cm -1 and b = 0.54 for compound (I), Dq = 1786 cm -1 , В = 504.53sm -1 and b = 0.49 for compound (II). The computer three-dimensional models of structure of such chromium(III) complexes as three-cystinate chromium (III) and three-chromium glycinate were created. Quantum-chemical modeling programs Chemcraft and WinGAMESS were used. Angles and bond lengths were calculated.