Publication:
Ca3[BN2]I3: the first halide-rich alkaline earth nitridoborate with isolated [BN2]3 - units

dc.contributor.coauthorAydemir, Umut
dc.contributor.coauthorDrathen, Christina
dc.contributor.coauthorAkselrud, Lev
dc.contributor.coauthorProts, Yurii
dc.contributor.coauthorHoehn, Peter
dc.contributor.departmentDepartment of Chemistry
dc.contributor.departmentDepartment of Chemical and Biological Engineering
dc.contributor.departmentGraduate School of Sciences and Engineering
dc.contributor.kuauthorSomer, Mehmet Suat
dc.contributor.kuauthorToros, Turna Ezgi
dc.contributor.kuauthorYahyaoğlu, Müjde
dc.contributor.schoolcollegeinstituteCollege of Engineering
dc.contributor.schoolcollegeinstituteCollege of Sciences
dc.contributor.schoolcollegeinstituteGRADUATE SCHOOL OF SCIENCES AND ENGINEERING
dc.date.accessioned2024-11-09T23:45:30Z
dc.date.issued2015
dc.description.abstractThe title compound Ca-3[BN2]I-3 was obtained from reactions of mixtures of the starting materials Ca-3[BN2](2) and CaI2 in a 1:4 ratio in sealed Nb tubes at 1223 K. The crystal structure was solved from powder synchrotron diffraction data. Ca-3[BN2]I-3 is the first example of a halide-rich nitridoborate crystallizing in the rhombohedral space group R32 [no. 155, Pearson code: hR96; Z = 12; a = 16.70491(2) angstrom, c = 12.41024(2) angstrom]. The crystal structure is built up by two interpenetrating networks of condensed edge-sharing [BN2]@Ca-6 and [square]@I-6 trigonal antiprisms (square = void). In Ca-3[BN2]I-3 two crystallograhically distinct [BN2](3-) anions are present with d(B1-N) = 1.393(2) angstrom and d(B2-N) = 1.369(9) angstrom. Their bond angles are practically linear, varying only slightly: N-B1-N = 179(1)degrees and N-B2-N = 180 degrees. Vibrational spectra were interpreted based on the D-infinity h symmetry of the discrete linear [N-B-N](3-) moieties, considering the site symmetry reduction and the presence of two distinct [BN2](3-) groups.
dc.description.indexedbyWOS
dc.description.indexedbyScopus
dc.description.issue11
dc.description.openaccessNO
dc.description.publisherscopeInternational
dc.description.sponsoredbyTubitakEuN/A
dc.description.volume641
dc.identifier.doi10.1002/zaac.201500285
dc.identifier.eissn1521-3749
dc.identifier.issn0044-2313
dc.identifier.quartileQ3
dc.identifier.scopus2-s2.0-84941935206
dc.identifier.urihttps://doi.org/10.1002/zaac.201500285
dc.identifier.urihttps://hdl.handle.net/20.500.14288/13850
dc.identifier.wos362691000028
dc.keywordsNitridoborate-halides
dc.keywordsDouble salts
dc.keywordsCalcium
dc.keywordsCrystal structures
dc.keywordsVibrational spectroscopy isolated BN23-units
dc.keywordsVibrational-spectra
dc.keywordsCrystal-structure
dc.keywordsCompound
dc.keywordsAnion
dc.language.isoeng
dc.publisherWiley
dc.relation.ispartofZeitschrift fur Anorganische und Allgemeine Chemie
dc.subjectChemistry
dc.subjectChemistry, Inorganic
dc.subjectNuclear chemistry
dc.titleCa3[BN2]I3: the first halide-rich alkaline earth nitridoborate with isolated [BN2]3 - units
dc.typeJournal Article
dspace.entity.typePublication
local.contributor.kuauthorToros, Turna Ezgi
local.contributor.kuauthorYahyaoğlu, Müjde
local.contributor.kuauthorSomer, Mehmet Suat
local.publication.orgunit1College of Engineering
local.publication.orgunit1GRADUATE SCHOOL OF SCIENCES AND ENGINEERING
local.publication.orgunit1College of Sciences
local.publication.orgunit2Department of Chemical and Biological Engineering
local.publication.orgunit2Department of Chemistry
local.publication.orgunit2Graduate School of Sciences and Engineering
relation.isOrgUnitOfPublication035d8150-86c9-4107-af16-a6f0a4d538eb
relation.isOrgUnitOfPublicationc747a256-6e0c-4969-b1bf-3b9f2f674289
relation.isOrgUnitOfPublication3fc31c89-e803-4eb1-af6b-6258bc42c3d8
relation.isOrgUnitOfPublication.latestForDiscovery035d8150-86c9-4107-af16-a6f0a4d538eb
relation.isParentOrgUnitOfPublication8e756b23-2d4a-4ce8-b1b3-62c794a8c164
relation.isParentOrgUnitOfPublicationaf0395b0-7219-4165-a909-7016fa30932d
relation.isParentOrgUnitOfPublication434c9663-2b11-4e66-9399-c863e2ebae43
relation.isParentOrgUnitOfPublication.latestForDiscovery8e756b23-2d4a-4ce8-b1b3-62c794a8c164

Files