A 10B NMR study of trigonal and tetrahedral borons in ring structured borate glasses and crystals

Faaborg, Miles; Goranson, Kyle; Barnes, Nathan; Troendle, Evan P.; Rice, Rachel; Chace, Michael; Montgomery, Luke; Koehler, Andrew J.; Lindeberg, Zachary; Holland, Diane; Smith, Mark E.; Affatigato, Mario; Singleton, Steve; Feller, Steve

doi:10.13036/17533562.56.5.177

Cited by 4 publications

(4 citation statements)

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“…or systematic background signal substration are necessary to provide quantitative NMR spectra that will only reflect a 11 B signal coming from the investigated samples. While most of the papers focus on 11 B to analyze the borate speciation, a few papers used 10 B to probe the structure of borate glasses [46,47]. To our knowledge, no paper has been published on 10 B-NMR applied to borophosphate glass.…”

Section: Nuclear Propertiesmentioning

confidence: 99%

Solid State NMR: A Powerful Tool for the Characterization of Borophosphate Glasses

2020

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This review will show how solid state nuclear magnetic resonance (NMR) has contributed to a better understanding of the borophosphate glass structure. Over the last fifteen years, 1D and 2D magic angle spinning (MAS)-NMR has been used to produce key information about both local and medium range organization in this type of glass. After a brief presentation on borophosphate glasses, the paper will focus on the description of the local order of phosphate and borate species obtained by 1D 31P-and 11B-MAS-NMR experiments, with a special emphasis on the improvements obtained at high magnetic fields on the borate speciation description. The last part of this review will show how correlation NMR provided new insights into the intermediate length scale order. Special attention will be paid to the quantitative data retrieved from 11B/31P REDOR-based NMR sequences and to the qualitative connectivity schemes observed on the 2D 11B/31P maps edited with the heteronuclear multiple quantum coherence (HMQC) NMR techniques.

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Section: Nuclear Propertiesmentioning

confidence: 99%

Solid State NMR: A Powerful Tool for the Characterization of Borophosphate Glasses

2020

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“…(6) Spectroscopic evidence for the presence of these units has been found from neutron scattering and nuclear magnetic resonance. (12,13) The situation for the Li-B system is different, in that both lithium enneaborate and pentaborate groups are essentially absent. Hence the only significant chemical groupings are B 2 O 3 (<c>=3; floppy) and Li.3B (triborate units with <c>=4; stressed-rigid).…”

Section: (Orange) Both As a Function Of R (Molar Ratio Of Lithium Oxmentioning

confidence: 99%

An anomaly in the glass transition width trends of alkali borate glasses at low modifier loadings

DeCeanne¹,

Potter²,

Richter³

et al. 2017

Phys. Chem. Glasses: Eur. J. Glass Sci. Technol. B

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The glass transition onset temperature (T g), the glass transition end temperature (T e), and the glass transition width (ΔT g) of alkali borate glasses were determined using differential scanning calorimetry (using the definition ΔT g ≡T e −T g). An anomaly was found in ΔT g trends of the lighter alkali modifiers, with that of lithium being the most prominent. From R=0•03 to 0•10, where R is the molar ratio of alkali oxide to boron oxide, ΔT g values of the lithium family experience a large increase, maximizing at R=0•05. Those of the sodium family experience a smaller increase. After R=0•10, the trends of all alkali borates follow a similar monotonic decline. An explanation based on thermodynamic modelling of the borate species, as well as viscosity, is proposed.

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“…30 Lithium is chosen as the modifier because quantitative data of the fraction of various superstructural units have, to our knowledge, only been reported in binary borates with lithium as the modifier. This is likely because 10 B NMR measurements are needed for such quantification, 28 requiring 10 B enriched H 3 BO 3 , specialized field-stepping to account for the very broad resonances, 36 and processing times of several days to accumulate the signal. In contrast, 11 B NMR may be performed without enriched components and features measurement times of less than 1 h. 37 As a result, the 11 B NMR technique has become widely popular in the field of glass science, 19 as it can be used to extract the boron coordination number, although perhaps it does not capture all of the structural details on the IRO order needed for the present modeling approach.…”

Section: Introductionmentioning

confidence: 99%

“…Lithium is chosen as the modifier because quantitative data of the fraction of various superstructural units have, to our knowledge, only been reported in binary borates with lithium as the modifier. This is likely because 10 B NMR measurements are needed for such quantification, requiring 10 B enriched H 3 BO 3 , specialized field-stepping to account for the very broad resonances, and processing times of several days to accumulate the signal. In contrast, 11 B NMR may be performed without enriched components and features measurement times of less than 1 h .…”

Section: Introductionmentioning

confidence: 99%

Statistical Mechanical Modeling of Borate Glass Structure and Topology: Prediction of Superstructural Units and Glass Transition Temperature

et al. 2019

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Predicting the compositional evolution of the atomic-scale structure and properties of oxide glasses is important for designing new materials for advanced applications. A statistical mechanics-based approach has recently been applied to predict the composition–structure evolution in binary phosphate glasses, while topological constraint theory (TCT) has been applied in the last decade to predict the structure–property evolution in various oxide and nonoxide glass systems. In this work, we couple these two approaches to enable quantitative predictions of the compositional dependence of glass transition temperature and the population of superstructural units. The object of the study is the lithium borate glass system because they feature interesting structural characteristics (e.g., boron anomaly), and ample structure and property data are available. In these glasses, the average coordination number of boron first increases when lithium modifiers are added and then later decreases accompanied by network depolymerization. First, on the basis of 10B nuclear magnetic resonance spectroscopy data from literature, we present a statistical description of the structural evolution in lithium borate glasses by accounting for the relative enthalpic and entropic contributions to the bonding preferences. We show that the entire glass structure evolution (both short- and intermediate-range) can be predicted based on experimental structural information for only a few glass compositions. We then show that the developed structural model can be combined with a previously established TCT model to predict the compositional evolution of the glass transition temperature. This work thus opens a new avenue for the computational design of glasses with tailored properties.

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A 10B NMR study of trigonal and tetrahedral borons in ring structured borate glasses and crystals

Cited by 4 publications

References 0 publications

Solid State NMR: A Powerful Tool for the Characterization of Borophosphate Glasses

Solid State NMR: A Powerful Tool for the Characterization of Borophosphate Glasses

An anomaly in the glass transition width trends of alkali borate glasses at low modifier loadings

Statistical Mechanical Modeling of Borate Glass Structure and Topology: Prediction of Superstructural Units and Glass Transition Temperature

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