home

Home Page

Instrument

What's New

Research

Management

solidstate

 

2017

B. Zhou, A. Faucher, R. Laskowski, V.V. Terskikh, S. Kroeker, W. Sun, J. Lin, J.-X. Mi, V.K. Michaelis, Y. Pan "Ultrahigh-Field 25Mg NMR and DFT Study of Magnesium Borate Minerals," ACS Earth and Space Chemistry (2017) online. http://dx.doi.org/10.1021/acsearthspacechem.7b00049

J.R. Thompson, D. Snider, J.E.C. Wren, S. Kroeker, V.E. Williams, D.B. Leznoff "Correlating Structural Features and 207Pb NMR Parameters with the Stereochemical Activity of PbII Lone Pairs in Birefringent Pb[2,6-bis(benzimidazol-2-yl)pyridine] Complexes," European Journal of Inorganic Chemistry 2017 (2017) 88–98. http://dx.doi.org/10.1002/ejic.201601235

2016

S. Kroeker, S. Schuller, J.E.C. Wren, B.J. Greer, A. Mesbah "133Cs and 23Na MAS NMR Spectroscopy of Molybdate Crystallization in Model Nuclear Glasses," Journal of the American Ceramic Society99 (2016) 1557–1564. http://dx.doi.org/10.1111/jace.14082

B. Zhou, W. Sun, B.-C. Zhao, J.-X. Mi, R. Laskowski, V. Terskikh, X. Zhang, L. Yang, S.M. Botis, B.L. Sherriff, Y. Pan "11B MAS NMR and First-Principles Study of the [OBO3] Pyramids in Borates," Inorganic Chemistry 55 (2016) 1970-1977. http://dx.doi.org/10.1021/acs.inorgchem.5b02071

V. To, E. Dzananovic, S.A. McKenna, J.D. O'Neil "The Dynamic Landscape of Full-Length HIV-1 Transactivator of Transcription," Biochemistry 55 (2016) 1314-1325. http://dx.doi.org/10.1021/acs.biochem.5b01178

2015

S. Kroeker "Nuclear Magnetic Resonance Spectroscopy of Glasses," in Modern Glass Characterization (2015) 315-344. http://dx.doi.org/10.1002/9781119051862.ch8

J.E.C. Wren, B.J. Greer, V.K. Michaelis, C.S. Higman, and S. Kroeker "Multinuclear Magnetic Resonance Investigation of Crystalline Alkali Molybdates," Inorg. Chem. 54 (2015) 9853–9861. http://dx.doi.org/10.1021/acs.inorgchem.5b01556

V.K. Michaelis, E.G. Keeler, T.-C. Ong, K.N. Craigen, S.A. Penzel, J.E.C. Wren, S. Kroeker, R.G. Griffin "Structural Insights into Bound Water in Crystalline Amino Acids: Experimental and Theoretical 17O NMR," Journal of Physical Chemistry B 119 (2015) 8024–8036. http://dx.doi.org/10.1021/acs.jpcb.5b04647

C.P. Romao, F.A. Perras, U. Werner-Zwanziger, J.A. Lussier, K.J. Miller, C.M. Calahoo, J.W. Zwanziger, M. Bieringer, B.A. Marinkovic, D.L. Bryce, M.A. White "Zero Thermal Expansion in ZrMgMo3O12: NMR Crystallography Reveals Origins of Thermoelastic Properties," Chemistry of Materials 27 (2015) 2633–2646. http://dx.doi.org/10.1021/acs.chemmater.5b00429

M. Kubus, K. Levin, S. Kroeker, D. Enseling, T. Jüstelc, H.-J. Meyer "Structural and luminescence studies of the new nitridomagnesoaluminate CaMg2AlN3," Dalton Transactions 44 (2015) 2819-2826. http://dx.doi.org/10.1039/c4dt03283g

2014

B. Zhou, V.K. Michaelis, Y. Yao, B.L. Sherriff, S. Kroeker, Y. Pan "Density functional theory study of the magnetic shielding mechanism for 11B in pentaborate minerals: ulexite and probertite," CrystEngComm 16 (2014) 10418-10427. http://dx.doi.org/10.1039/c4ce01749h

P. Hee, R. Christensen, Y. Ledemi, J.C. Wren, M. Dussauze, T. Cardinal, E. Fargin, S. Kroeker, Y. Messaddeq "Properties and structural investigation of gallophosphate glasses by 71Ga and 31P nuclear magnetic resonance and vibrational spectroscopies," Journal of Materials Chemistry C 2 (2014) 7906-7917. http://dx.doi.org/10.1039/c4tc01024h

2013

M.C.W. Manimel Wadu, V.K. Michaelis, S. Kroeker and O.O. Akinremi, "Exchangeable Calcium/Magnesium Ratio Affects Phosphorus Behavior in Calcareous Soils," Soil Science Society of America Journal 77 (2013) 2004-2013. http://dx.doi.org/10.2136/sssaj2012.0102

M. Kalmutzki, M. Ströbele, S. Kroeker, J.E.C. Wren, H.J. Meyer, "Synthesis and Characterization of the First Tetracyanamidogallate," European Journal of Inorganic Chemistry 2013 (2013) 6091–6096. http://dx.doi.org/10.1002/ejic.201301090

M. Kalmutzki, D. Enseling, J.E.C. Wren, S. Kroeker, V.V. Terskikh, T. Jüstel, and H.-J. Meyer, "Solid State Complex Chemistry: Formation, Structure, and Properties of Homoleptic Tetracyanamidogermanates RbRE[Ge(CN2)4] (RE = La, Pr, Nd, Gd)," Inorganic Chemistry 52 (2013) 12372–12382. http://dx.doi.org/10.1021/ic401201w

S.J. Hibble, A.M. Chippindale, E. Marelli, S. Kroeker, V.K. Michaelis, B.J. Greer, P.M. Aguiar, E.J. Bilbe, E.R. Barney, and A.C. Hannon, "Local and average structure in zinc cyanide: towards an understanding of the atomistic origin of negative thermal expansion," Journal of the American Chemical Society 135 (2013) 16478–16489. http://dx.doi.org/10.1021/ja406848s

B. Zhou, V.K. Michaelis, S. Kroeker, J.E.C. Wren, Y. Yao, B.L. Sherriff, and Y. Pan, "11B and 23Na Solid-State NMR and Density Functional Theory Studies of Electric Field Gradients at Boron Sites in Ulexite," CrystEngComm 15 (2013) 8739-8747. http://dx.doi.org/10.1039/c3ce41251b

V.K. Michaelis, P. Kachhadia and S. Kroeker, "Clustering in borate-rich alkali borophosphate glasses: a 11B and 31P MAS NMR study," Phys. Chem. Glasses: Eur. J. Glass Sci. Technol. B 54 (2013) 20-26. http://www.ingentaconnect.com/content/sgt/pcg

P.M. Aguiar, V.K. Michaelis, C.M. McKinley, S. Kroeker, "Network connectivity in cesium borosilicate glasses: 17O multiple-quantum MAS and double-resonance NMR," Journal of Non-Crystalline Solids 363 (2013) 50–56. http://dx.doi.org/10.1016/j.jnoncrysol.2012.12.010

2012

S. Feller, T. Mullenbach, M. Franke, S. Bista, A. O’Donovan-Zavada, K. Hopkins, D. Starkenberg, J. McCoy, D. Leipply, J. Stansberry, E. Troendle, M. Affatigato, D. Holland, M.E. Smith, S. Kroeker, V.K. Michaelis and J.E.C. Wren, "Structure and properties of barium and calcium borosilicate glasses," Phys. Chem. Glasses: Eur. J. Glass Sci. Technol. B 53 (2012) 210–218. http://www.ingentaconnect.com/content/sgt/pcg

B. Zhou, V.K. Michaelis, Y. Pan, Y. Yao, K.T. Tait, B.C. Hyde, J.E.C. Wren, B.L. Sherriff, and S. Kroeker, "Crystal structure refinements of borate dimorphs inderite and kurnakovite using 11B and 25Mg nuclear magnetic resonance and DFT calculations," American Mineralogist 97 (2012) 1858–1865. http://dx.doi.org/10.2138/am.2012.4020

V.K. Michaelis, B. Greer, T. Aharen, J.E. Greedan, and S. Kroeker, "Determining Electron Spin-Transfer Mechanisms in Paramagnetic Ba2YMO6 (M=Mo, Re, Ru) Double Perovskites by 89Y and 137Ba MAS NMR Spectroscopy," J. Phys. Chem. C 116 (2012) 23646–23652. http://dx.doi.org/10.1021/jp308214d

EMR S. Kroeker, "Nuclear Waste Glasses: Insights from Solid-State NMR" Chapter 26, NMR of Quadrupolar Nuclei in Solid Materials, Eds. R.E. Wasylishen, S.E. Ashbrook, S. Wimperis, Wiley (2012). http://dx.doi.org/10.1002/9780470034590.emrstm1223

B.J. Greer and S. Kroeker, "Characterisation of heterogeneous molybdate and chromate phase assemblages in model nuclear waste glasses by multinuclear magnetic resonance spectroscopy," Physical Chemistry Chemical Physics 14 (2012) 7375-7383. http://dx.doi.org/10.1039/c2cp40764g

B. Zhou, V.K. Michaelis, S.R. Giesbrecht, S. Kroeker, B.L. Sherriff, Z. Sun, Y. Yao, Y. Pan, "Correlations between 11B NMR parameters and structural characters in borate and borosilicate minerals investigated by high-resolution MAS NMR and ab initio calculations," Physics and Chemistry of Minerals 39 (2012) 373. http://dx.doi.org/10.1007/s00269-012-0503-2

2011

S. Kroeker, "Nuclear Waste Glasses: Insights from Solid-State NMR", Encyclopedia of Magnetic Resonance, Wiley (2011). http://dx.doi.org/10.1002/9780470034590.emrstm1223

A.J. Lussier, F.C. Hawthorne, P.M. Aguiar, V.K. Michaelis, S. Kroeker, "Elbaite-liddicoatite from Black Rapids Glacier, Alaska," Periodico di Mineralogia 80 (2011) 57-73. http://dx.doi.org/10.2451/2011PM0005

B.J. Greer, V.K. Michaelis, V.V. Terskikh, and S. Kroeker, "Reconnaissance of diverse structural and electronic environments in germanium halides by solid-state 73Ge NMR and quantum chemical calculations," Canadian Journal of Chemistry 89 (2011) 1118-1129. (Special Issue) http://dx.doi.org/10.1139/v11-052

A.J. Lussier, F.C. Hawthorne, Y. Abdu, S. Herwig, V.K. Michaelis, P.M. Aguiar and S. Kroeker, "The crystal chemistry of wheatsheaf tourmaline from Mogok, Myanmar," Mineralogical Magazine 75 (2011) 65-86. http://dx.doi.org/10.1180/minmag.2011.075.1.65

cej2011 B.J. Greer, V.K. Michaelis, M.J. Katz, D.B. Leznoff, G. Schreckenbach, S. Kroeker, "Characterising Lone-Pair Activity of Lead(II) by 207Pb Solid-State NMR: Coordination Polymers of [N(CN)2]- and [Au(CN)2]- with Terpyridine Ancillary Ligands," Chemistry - A European Journal 17 (2011) 3609-3618. (Cover Article) http://dx.doi.org/10.1002/chem.201002913

A.R. Geisheimer, J.E.C. Wren, V.K. Michaelis, M. Kobayashi, K. Sakai, S. Kroeker, and D.B. Leznoff, "Aggregation of [Au(CN)4]- Anions: Examination by Crystallography and 15N CP-MAS NMR and the Structural Factors Influencing Intermolecular Au···N Interactions," Inorg. Chem. 50 (2011) 1265–1274. http://dx.doi.org/10.1021/ic101782v

A.J. Lussier, Y. Abdu, F.C. Hawthorne, V.K. Michaelis, P.M. Aguiar and S. Kroeker, "Oscillatory zoned liddicoatite from Anjanabonoina, central Madagascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy," Canadian Mineralogist 49 (2011) 63-88. http://dx.doi.org/10.3749/canmin.49.1.63

2010

V.K. Michaelis and S. Kroeker, "73Ge Solid-State NMR of Germanium Oxide Materials: Experimental and Theoretical Studies," Journal of Physical Chemistry C 114 (2010) 21736–21744. http://dx.doi.org/10.1021/jp1071082

C. Martineau, V.K. Michaelis, S. Schuller, S. Kroeker, "Liquid-liquid phase separation in model nuclear waste glasses: A solid-state double-resonance NMR study," Chemistry of Materials 22 (2010) 4896–4903. http://dx.doi.org/10.1021/cm1006058

S. Kroeker, C.S. Higman, V.K. Michaelis, N.B. Svenda, S. Schuller, "Precipitation of Mixed-Alkali Molybdates During HLW Vitrification", in Scientific Basis for Nuclear Waste Management XXXIV, edited by K.L. Smith, S. Kroeker, B. Uberuaga, K.R. Whittle (Mater. Res. Soc. Symp. Proc. Volume 1265, Warrendale, PA, 2010), 1265-AA03-03. http://dx.doi.org/10.1557/PROC-1265-AA03-03

T. Aharen, J.E. Greedan, A.A. Aczel, J. Rodriguez, G. McDougall, G.M. Luke, T. Imai, B.D. Gaulin, G. Vangastel, J. Calro, J.P.C. Ruff, J. Wagman, V.K. Michaelis, S. Kroeker, H. Zhou, C. Wiebe, L.M.D. Cranswick, "Magnetic properties of the geometrically frustrated S=1/2 antiferromagnets, La2LiMoO6 and Ba2YMoO6, with the B-site ordered double perovskite structure: Evidence for a collective spin-singlet ground state." Phys. Rev. B 81 (2010) 224409. http://dx.doi.org/10.1103/PhysRevB.81.224409

T. Aharen, J.E. Greedan, C.A. Bridges, A.A. Aczel, J. Rodriguez, G. MacDougall, G.M. Luke, V.K. Michaelis, S. Kroeker, C.R. Wiebe, H. Zhou, and L.M.D. Cranswick, "Structure and magnetic properties of the S=1 geometrically frustrated double perovskites La2LiReO6 and Ba2YReO6," Phys. Rev. B 81 (2010) 064436. http://dx.doi.org/10.1103/PhysRevB.81.064436

2009

S. Kroeker, I. Farnan, S. Schuller, T. Advocat, "Mo-95 NMR Study of Crystallization in Model Nuclear Waste Glasses," Scientific Basis for Nuclear Waste Management XXXII, Book Series: Materials Research Society Symposium Proceedings 1124 (2009) 153–159.

T. Aharen, J.E. Greedan, F. Ning, T. Imai, V. Michaelis, S. Kroeker, H. Zhou, C.R. Wiebe, and L.M.D. Cranswick, "Magnetic properties of the S=3/2 geometrically frustrated double perovskites La2LiRuO6 and Ba2YRuO6," Phys. Rev. B 80 (2009) 134423. http://dx.doi.org/10.1103/PhysRevB.80.134423

V.K. Michaelis and S. Kroeker, "Caesium volatilisation in borosilicate glasses: a multinuclear magnetic resonance study," Phys. Chem. Glasses: Eur. J. Glass Sci. Technol. B 50 (2009) 249-252. IngentaConnect

S.P. Shafi, M.W. Kotyk, L.M.D. Cranswick, V.K. Michaelis, S. Kroeker and M. Bieringer, "In Situ Powder X-ray Diffraction, Synthesis, and Magnetic Properties of the Defect Zircon Structure ScVO4-x," Inorg. Chem. 48 (2009) 10553–10559. http://dx.doi.org/10.1021/ic900927j

A. Saini, A. Khanna, V.K. Michaelis, S. Kroeker, F. González, D. Hernández, "Structure–property correlations in lead borate and borosilicate glasses doped with aluminum oxide," Journal of Non-Crystalline Solids 355 (2009) 2323-2332. http://dx.doi.org/10.1016/j.jnoncrysol.2009.08.006

C.A. Klug, S. Kroeker, P.M. Aguiar, M. Zhou, D.F. Stec and I.E. Wachs, "Insights into Oxygen Exchange Between Gaseous O2 and Supported Vanadium Oxide Catalysts via 17O NMR," Chem. Mater. 21 (2009) 4127–4134. http://dx.doi.org/10.1021/cm802680x

P.M. Aguiar, M.J. Katz, D.B. Leznoff and S. Kroeker, "Natural abundance 13C and 15N solid-state NMR analysis of paramagnetic transition-metal cyanide coordination polymers," Physical Chemistry Chemical Physics 11 (2009) 6925-6934. (Invited Article, Themed Issue) http://dx.doi.org/10.1039/b907747b

B. Zhou, B.L. Sherriff and T. Wang, "27Al NMR spectroscopy at multiple magnetic fields and ab initio quantum modeling for kaolinite," American Mineralogist 94 (2009) 865–871. http://dx.doi.org/10.2138/am.2009.3142

pccp V.K. Michaelis, P.M. Aguiar, V.V. Terskikh and S. Kroeker, "Germanium-73 NMR of Amorphous and Crystalline GeO2," Chemical Communications (2009) 4660-4662. (Cover Article) http://dx.doi.org/10.1039/b906642j

A.J. Lussier, P.M. Aguiar, V.K. Michaelis, S. Kroeker, F.C. Hawthorne, "The occurrence of tetrahedrally coordinated Al and B in tourmaline: An 11B and 27Al MAS NMR study," American Mineralogist 94 (2009) 785-792. http://dx.doi.org/10.2138/am.2009.3000

P.M. Aguiar and S. Kroeker, "Cyanide orientational ordering and copper electric field gradients in CuCN·N2H4," Phys. Chem. Chem. Phys. 11 (2009) 834-840. http://dx.doi.org/10.1039/b808266a

2008

A.J. Lussier, P.M. Aguiar, V.K. Michaelis, S. Kroeker, S. Herwig, Y. Abdu, F.C. Hawthorne, "Mushroom elbaite from the Kat Chay mine, Momeik, near Mogok, Myanmar: I. Crystal chemistry by SREF, EMPA, MAS NMR and Mossbauer spectroscopy," Mineralogical Magazine 72 (2008) 747-761. http://dx.doi.org/10.1180/minmag.2008.072.3.747

M.J. Katz, V.K. Michaelis, P.M. Aguiar, R. Yson, H. Lu, H. Kaluarachchi, R.J. Batchelor, G. Schreckenbach, S.Kroeker, H.H. Patterson, and D.B. Leznoff, "Structural and Spectroscopic Impact of Tuning the Stereochemical Activity of the Lone Pair in Lead(II) Cyanoaurate Coordination Polymers via Ancillary Ligands," Inorganic Chemistry 47 (2008) 6353-6363. http://dx.doi.org/10.1021/ic800425f

A.S. Abd-El-Aziz, P.O. Shipman, E.G. Neeland, T.C. Corkery, S. Mohammed, P.D. Harvey, H.M. Mohamed, A.H. Bedair, A.M. El-Agrody, P.M. Aguiar, S. Kroeker, "Benzo[f]- and Benzo[h]Coumarin-Containing Poly(methyl methacrylate)s and Poly(methyl methacrylate)s with Pendant Coumarin-Containing Azo Dyes," Macromolecular Chemistry and Physics 209 (2008) 84-103. http://dx.doi.org/10.1002/macp.200700476

2007

R.Y. Dong, M. Geppi, A. Marini, V. Hamplova, M. Kaspar, C.A. Veracini, J. Zhang, "Orientational order of a liquid crystal with three chiral centers by a combined 13C NMR and DFT approach," Journal of Physical Chemistry B 111 (2007) 9787-9794. http://dx.doi.org/10.1021/jp0730693

V.K. Michaelis, P.M. Aguiar and S. Kroeker, "Probing alkali coordination environments in alkali borate glasses by multinuclear magnetic resonance," Journal of Non-Crystalline Solids 353 (2007) 2582-2590. http://dx.doi.org/10.1016/j.jnoncrysol.2007.04.029

P.M. Aguiar and S. Kroeker, "Boron speciation and non-bridging oxygens in high-alkali borate glasses," Journal of Non-Crystalline Solids 353 (2007) 1834-1839. http://dx.doi.org/10.1016/j.jnoncrysol.2007.02.013

J. Zhang, V. Domenici and R.Y. Dong, "13C NMR Study Of Orientational Ordering In Smectic A Phase Of Chiral Liquid Crystals" Chemical Physics Letters 441 (2007) 237-244. http://dx.doi.org/10.1016/j.cplett.2007.05.032

A.S. Abd El Aziz, N.M. Pereira, D.J. Winram, P. Sidhu, S. Kroeker, "Synthesis and polymerization of a four-arm star with pendent cyclopentadienyliron moieties" Journal Of Inorganic And Organometallic Polymers And Materials 17 (2007) 275-282.
http://dx.doi.org/10.1007/s10904-007-9097-4

J.S. Hartman, A. Narayanan, S.S. Rigby, D.R. Sliwinski, N.M. Halden, A.D. Bain, "Heterogeneities in sol-gel-derived paramagnetics-doped forsterites and willemites - Electron microprobe analysis and stretched-exponential 29Si MAS NMR spin-lattice relaxation studies" Canadian Journal Of Chemistry Revue Canadienne De Chimie 85 (2007) 56-65.

B. Zhou, B.L. Sherriff, J.S. Hartman, G. Wu, "27Al and 23Na NMR spectroscopy and structural modeling of aluminofluoride minerals," American Mineralogist 92 (2007) 34-43.

2006

J. Banerjee, G. Ongie, J. Harder, T. Edwards, C. Larson, S. Sutton, A. Moeller, A. Basu, M. Affatigato, S. Feller, M. Kodama, P.M. Aguiar, S. Kroeker, "Structural Studies of Solution-Made High-Alkali Content Glasses" Journal of Non-Crystalline Solids 352 (2006) 674-67. http://dx.doi.org/10.1016/j.jnoncrysol.2005.11.051

S. Kroeker, P.M. Aguiar, A. Cerquiera, J. Okoro, W. Clarida, J. Doerr, M. Olesiuk, G. Ongie, M. Affatigato and S.A. Feller, "Alkali Dependence of Tetrahedral Boron in Alkali Borate Glasses" Physics and Chemistry of Glasses: European Journal of Glass Science and Technology Part B 47 (2006) 393-396.

M.J. Katz, P.M. Aguiar, R.J. Batchelor, A.A. Bokov, Z.G. Ye, S. Kroeker, D.B. Leznoff, "Structure and multinuclear solid-state NMR of a highly birefringent lead-gold cyanide coordination polymer," Journal of the American Chemical Society 128 (2006) 3669-3676. http://dx.doi.org/10.1021/ja0566634

L. Ouyang, P.M. Aguiar, R.J. Batchelor, S. Kroeker, D.B. Leznoff, "A paramagnetic Cu(I)/Cu(II)/Zn(II) coordination polymer with multiple CN-binding modes and its solid-state NMR characterization," Chemical Communications (2006) 744-746. http://dx.doi.org/10.1039/b601003m