TY - JOUR A1 - Steiger, Thomas A1 - Pradel, Rita T1 - COMAR: the international database for certified reference materials - an overview N2 - COMAR is an international database for certified reference materials. This paper describes the history, structure, content, maintenance and present situation of the database. KW - COMAR KW - Database KW - Reference materials (RMs) KW - Certified reference materials (CRMs) PY - 2015 DO - https://doi.org/10.1007/s00769-014-1079-y SN - 0949-1775 SN - 1432-0517 VL - 20 IS - 1 SP - 47 EP - 52 PB - Springer CY - Berlin AN - OPUS4-32554 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Recknagel, Sebastian A1 - Noack, Siegfried A1 - Steiger, Thomas A1 - Kipphardt, Heinrich A1 - Matschat, Ralf T1 - International comparability of determination of mass fractions of chromium, copper, iron, manganese and zinc in aluminium alloy: Comité consultatif pour la quantité de matière key comparison K42 N2 - The degree of equivalence within the participating national metrology institutes for the measurement results of the mass fractions of the analytes Cr, Cu, Fe, Mn and Zn in an aluminium alloy was assessed. This interlaboratory comité consultatif pour la quantité de matière key comparison (CCQM-K42) was organised as an activity of the Inorganic Analytical Working Group of CCQM. In total seven laboratories participated, six of them for all analytes. Measurands were the mass fractions of the analytes in a range of 0.05 and 0.2%. As an outcome the consistency of the results for all elements investigated was acceptable, hence satisfactory comparability was established. An aluminium based certified reference material—undisclosed to the analysts which one it was—was used as test sample. For the purpose of this study homogeneity was tested at BAM. Each laboratory was free to choose any analytical method they wanted to use for the analysis. Consequently various methods of measurement were employed: instrumental neutron activation analysis, X-ray fluorescence spectrometry (XRF) using fused cast-bead method combined with reconstitution technique, inductively coupled plasma optical emission spectrometry (ICP OES) and inductively coupled plasma mass spectrometry. Metrological traceability of the measurement results to the SI unit had to be demonstrated. Therefore, methods such as spark OES or XRF (without fused cast-bead technique)—both of them being most important methods for the analysis of metals and alloys in industrial laboratories—could not be used in the frame of the key comparison. KW - Aluminium alloy KW - International comparison KW - CCQM-K42 KW - Key comparison PY - 2010 DO - https://doi.org/10.1007/s00769-010-0641-5 SN - 0949-1775 SN - 1432-0517 VL - 15 IS - 7 SP - 401 EP - 407 PB - Springer CY - Berlin AN - OPUS4-21628 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Otto, A.H. A1 - Steiger, Thomas A1 - Schrader, S. T1 - HAlCl4 in the gas phase ist stronger than HTaF6 PY - 1998 SN - 0022-4936 SN - 0009-241x SN - 1359-7345 SN - 1364-548x VL - 3 SP - 391 EP - 392 PB - Royal Society of Chemistry CY - Cambridge AN - OPUS4-2693 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Steudel, R. A1 - Steiger, Thomas T1 - Sulfur compounds. Part 162. Geometries and energies of the radical anion SO2- and of three isometric structures of the dithionite anion S2O4 2- alpha PY - 1993 SN - 0022-2860 SN - 1872-8014 SN - 0377-046X VL - 284 SP - 55 EP - 59 PB - Elsevier CY - Amsterdam AN - OPUS4-2678 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Otto, A.H. A1 - Steiger, Thomas A1 - Schrader, S. T1 - The gas phase acidity of trifluoromethanesulphonic acid. An ab initio MO and density functional theory study KW - Acidity KW - Trifluoromethanesulphonic acid KW - Ab initio calculations KW - Molecular orbital KW - Density functional theory PY - 1998 SN - 0022-2860 SN - 1872-8014 SN - 0377-046X VL - 471 SP - 105 EP - 113 PB - Elsevier CY - Amsterdam AN - OPUS4-2680 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Steiger, Thomas A1 - Pradel, Rita T1 - COMAR² - the internet database for certified reference materials PY - 2004 SN - 1618-2642 SN - 1618-2650 VL - 378 IS - 5 SP - 1145 EP - 1146 PB - Springer CY - Berlin AN - OPUS4-3325 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Steiger, Thomas A1 - Steudel, R. T1 - Sulphur compounds. Part 149. Structures, relative stabilities and vibrational spectra of several isomeric forms of sulphoxylic acid (H2SO2) and its anion (HSO2-): an ab initio study alpha PY - 1992 SN - 0022-2860 SN - 1872-8014 SN - 0377-046X SP - 313 EP - 323 PB - Elsevier CY - Amsterdam AN - OPUS4-4583 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Steiger, Thomas A1 - Pradel, Rita T1 - Update on COMAR - the Internet Database for Certified Reference Materials KW - COMAR database KW - Certified reference materials KW - CRM PY - 2004 SN - 0970-3950 VL - 19 IS - 4 SP - 203 EP - 207 PB - Metrology Society of India CY - New Delhi AN - OPUS4-5986 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pradel, Rita A1 - Steiger, Thomas A1 - Klich, Harry T1 - Availability of reference materials: COMAR the database for certified reference materials KW - COMAR KW - International database KW - Certified reference material (CRM) PY - 2003 DO - https://doi.org/10.1007/s00769-002-0562-z SN - 0949-1775 SN - 1432-0517 VL - 8 SP - 317 EP - 318 PB - Springer CY - Berlin AN - OPUS4-2628 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Drozdova, Y. A1 - Steudel, R. A1 - Hertwig, R. H. A1 - Koch, W. A1 - Steiger, Thomas T1 - Structures and Energies of Various Isomers of Dithionous Acid H2S2O4 and of Its Anion HS2O4 N2 - Ab initio molecular orbital calculations at various, correlated levels of theory have been performed on eight isomers of the [H,O4,S2]- anion and six forms of [H2,O4,S2]. For the former species, the hypothetical O3SSOH- (9) ion is identified as the lowest energy isomer using second-order Mller-Plesset perturbation theory or the CCSD(T) method, with the protonated dithionite ion, O2SSO2H- (6), being only marginally (less than 5 kJ mol-1 at 25 C) higher in energy. In contrast, the B3LYP density functional predicts a rather different order of relative stabilities, with O2SSO2H- (6) as the by far most stable ion. 6 is stable with respect to dissociation into SO2 and HOSO- or into SO2- and HOSO (which is more stable than HSO2). For the species of composition H2S2O4 the cagelike dithionous acid molecule (HO)O2SSO2(OH) (14) represents the global minimum at all four levels of theory. However, also for this species, the relative stabilities predicted by the B3LYP approach differ considerably from results obtained from the conventional wave function-based methods. 14 is stabilized by two very strong intramolecular hydrogen bonds (symmetry C2). The homolytic dissociation of 14 at the SS bond is strongly endothermic, but the molecule is unstable with respect to dissociation into H2SO2 and SO2. The harmonic wavenumbers and infrared intensities of the fundamental vibrations of 6 and 14 are given. PY - 1998 DO - https://doi.org/10.1021/jp972658d SN - 1089-5639 SN - 1520-5215 VL - 102 IS - 6 SP - 990 EP - 996 PB - Soc. CY - Washington, DC AN - OPUS4-2587 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pradel, Rita A1 - Steiger, Thomas T1 - COMAR² The international database for certified reference materials on the internet T2 - 9th International Symposium on Biological and Environmental Reference Materials (BERM-9) CY - Berlin, Germany DA - 2003-06-15 PY - 2003 SN - 1618-2642 SN - 1618-2650 VL - 378 IS - 5 SP - 1 EP - 2(?) PB - Springer CY - Berlin AN - OPUS4-2563 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Steiger, Thomas A1 - Pradel, Rita T1 - Update on COMAR: the Internet database for certified reference materials N2 - This paper describes the COMAR database for certified reference materials (CRMs). The Web-based version of COMAR is freely accessible via the Internet. COMAR was established to assist laboratories in finding the CRMs needed. The database is maintained in a collaboration of the world’s major CRM producers. The planned changes in the database as agreed at the last COMAR council meeting in Prague in May 2006 are indicated. KW - COMAR KW - Database KW - Reference materials KW - Certified reference materials PY - 2007 SN - 0949-1775 SN - 1432-0517 VL - 12 IS - 5 SP - 265 EP - 268 PB - Springer CY - Berlin AN - OPUS4-14821 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Witke, Klaus A1 - Steiger, Thomas A1 - Jancke, Harald A1 - Beining, K. A1 - Polak, W. T1 - Investigations of structure and stability of the Tetrachlorinedecaoxide Anion Complex (TCDO) N2 - Raman spectroscopic and 35Cl-NMR scans of Hydro-Xan®, a preparation containing the biocatalytically effective Tetrachlorinedecaoxide anion (TCDO), are described. The spectroscopic analyses showed that HydroXan® does not contain chlorite initially used in the preparation anymore. Furthermore, a structure of four equal chlorate-like ClO3-groups was indicated for TCDO by the scans. Such a structure is supported by the long-term stability of HydroXan® found at tests over 267 days. KW - Tetrachlorinedecaoxide (TCDO) KW - Raman spectroscopy PY - 2002 DO - https://doi.org/10.1002/1521-3749(200203)628:3<707::AID-ZAAC707>3.0.CO;2-X SN - 0044-2313 SN - 1521-3749 SN - 0372-7874 SN - 0863-1786 SN - 0863-1778 VL - 628 IS - 3 SP - 707 EP - 710 PB - Wiley-VCH CY - Weinheim AN - OPUS4-1310 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -