Latent Porosity in Alkali-Metal M2B12F12 Salts: Structures and Rapid Room-Temperature Hydration/Dehydration Cycles

Peryshkov, Dmitry V.; Bukovsky, Eric V.; Lacroix, M.; Wu, Hui; Zhou, Wei; Jones, William; Lozinšek, Matic; Folsom, Travis C.; Heyliger, D Luke; Udovic, Terrence J.; Strauss, Steven H.

doi:10.1021/acs.inorgchem.7b02081

Cited by 10 publications

(44 citation statements)

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“…The largest displacements are for Li 2 (H 2 O) 4 (B 12 F 12 ) (±0.633 Å) 44 and (H 2 O) 4 on NaCl(001) (±0.374 Å). 59 The symmetry of a cyclic (H 2 O) 4 44 The FTIR spectrum of this compound has two sharp ν(OH) bands with small red shifts from H 2 O(g) at 3658 and 3588 cm −1 . 38 4.…”

Section: Resultsmentioning

confidence: 98%

“…Furthermore, the isotopolog K 2 (HOD)(D 2 O)(B 12 F 12 ) exhibits a ν(OH) band at 3604 cm –1 , halfway between 3636 and 3576 cm –1 . A similar compound is the monohydrate Cs 2 (H 2 O)(B 12 F 12 ), in which the O–H bonds also form weak O–H···F hydrogen bonds . The FTIR spectrum of this compound has two sharp ν(OH) bands with small red shifts from H 2 O(g) at 3658 and 3588 cm –1 …”

Section: Discussionmentioning

confidence: 99%

“…X-ray crystal structure of Li 2 (H 2 O) 4 (B 12 F 12 ) (50% probability ellipsoids except for H atoms; ref ). The H 2 O molecules are symmetry related.…”

Section: Introductionmentioning

confidence: 99%

“…We reported the synthesis and X-ray structure of the lithium salt hydrate Li 2 (H 2 O) 4 (B 12 F 12 ) in 2017. 44 The four H 2 O molecules form a cyclic (H 2 O) 4 cluster with four O−H•••O hydrogen bonds and an effective (not crystallographic) S 4 symmetry, as shown in Figure 1. The four so-called "dangling"…”

Section: Introductionmentioning

confidence: 99%

“…Note that Li 2 (H 2 O) 4 (B 12 F 12 ) does not undergo dehydration at room temperature. 44 2.2. FTIR Spectroscopy.…”

Section: Introductionmentioning

confidence: 99%

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Room-Temperature FTIR Spectra of the Cyclic S₄ (H₂O)₄ Cluster in Crystalline Li₂(H₂O)₄(B₁₂F₁₂): Observation of B and E ν(OH) Bands and Coupling of Strong O–H···O and Weak O–H···F Vibrations

2019

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Room-temperature-attenuated total reflection-Fourier transform infrared (FTIR) spectra of the structurally characterized crystalline lithium salt Li 2 (H 2 O) 4 (B 12 F 12 ), which contains a cyclic S 4 symmetry (H 2 O) 4 cluster, and several partially or completely deuterated isotopologs, suggest the following conclusions: (i) B and E normal modes gave rise to two distinguishable ν(OH bound ) bands, separated by 42 cm −1 , two distinguishable ν(OH free ) bands, separated by 13 cm −1 , and two distinguishable δ(HOH) bands, separated by 19 cm −1 , in the FTIR spectrum of Li 2 (H 2 O) 4 (B 12 F 12 ); (ii) B and E normal modes gave rise to two distinguishable ν(OD bound ) bands separated by 20 cm −1 in the FTIR spectrum of Li 2 (D 2 O) 4 (B 12 F 12 ); (iii) coupling between ν(OH bound ) and ν(OH free ) normal modes or between ν(OD bound ) and ν(OD free ) normal modes is weak, but finite, and resulted in shifts of 4−10 cm −1 for the respective bands in the spectra of Li 2 (H 2 O) 4 (B 12 F 12 ) vs Li 2 (HOD)(D 2 O) 3 (B 12 F 12 ) or in the spectra of Li 2 (D 2 O) 4 (B 12 F 12 ) vs Li 2 (HOD)(H 2 O) 3 (B 12 F 12 ); and (iv) a δ(DOD) band for an S 4 (D 2 O) 4 cluster, at ca. 1202 cm −1 , was observed for the first time. In addition, FTIR spectra of the lithium salt containing cyclic [(HOD)(H 2 O) 3 ] or [(HOD)(D 2 O) 3 ] clusters are the first examples in which bands that are unambiguously assigned to both HO−D•••O and DO−H•••O hydrogen bonds in the same sample have been observed for a water tetramer.

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Section: Resultsmentioning

confidence: 98%

Section: Discussionmentioning

confidence: 99%

“…X-ray crystal structure of Li 2 (H 2 O) 4 (B 12 F 12 ) (50% probability ellipsoids except for H atoms; ref ). The H 2 O molecules are symmetry related.…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

“…Note that Li 2 (H 2 O) 4 (B 12 F 12 ) does not undergo dehydration at room temperature. 44 2.2. FTIR Spectroscopy.…”

Section: Introductionmentioning

confidence: 99%

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Room-Temperature FTIR Spectra of the Cyclic S₄ (H₂O)₄ Cluster in Crystalline Li₂(H₂O)₄(B₁₂F₁₂): Observation of B and E ν(OH) Bands and Coupling of Strong O–H···O and Weak O–H···F Vibrations

2019

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Thecloso‐Dodecaborate Dianion Fused with Oxazoles Provides 3D Diboraheterocycles with Selective Antimicrobial Activity

Sun

Zhang

et al. 2018

Chemistry A European J

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The synthesis and application of icosahedral boron cluster compounds has been studied extensively since their discovery several decades ago; however, two aspects of their chemistry have received little attention: The possibility to form inorganic/organic fused boraheterocycles and their potential to act as antimicrobial agents. This work comprises the preparation of a class of 3D diborabenzoxazole analogues with the closo-dodecaborate in place of the benzene moiety. The presented synthetic procedures provide access to a wide range of diboraheterocycles under mild conditions. These 3D heterocycles exhibit strong and selective antimicrobial activity against Neisseria gonorrhoeae, a widespread bacterial pathogen that has shown increasing incidences of multidrug resistance and for which the development of new antimicrobial compounds is urgently needed.

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Molecular boron clusters

Sivaev

2023

Comprehensive Inorganic Chemistry III

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Latent Porosity in Alkali-Metal M₂B₁₂F₁₂ Salts: Structures and Rapid Room-Temperature Hydration/Dehydration Cycles

Cited by 10 publications

References 133 publications

Room-Temperature FTIR Spectra of the Cyclic S₄ (H₂O)₄ Cluster in Crystalline Li₂(H₂O)₄(B₁₂F₁₂): Observation of B and E ν(OH) Bands and Coupling of Strong O–H···O and Weak O–H···F Vibrations

Room-Temperature FTIR Spectra of the Cyclic S₄ (H₂O)₄ Cluster in Crystalline Li₂(H₂O)₄(B₁₂F₁₂): Observation of B and E ν(OH) Bands and Coupling of Strong O–H···O and Weak O–H···F Vibrations

Thecloso‐Dodecaborate Dianion Fused with Oxazoles Provides 3D Diboraheterocycles with Selective Antimicrobial Activity

Molecular boron clusters

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Latent Porosity in Alkali-Metal M2B12F12 Salts: Structures and Rapid Room-Temperature Hydration/Dehydration Cycles

Cited by 10 publications

References 133 publications

Room-Temperature FTIR Spectra of the Cyclic S4 (H2O)4 Cluster in Crystalline Li2(H2O)4(B12F12): Observation of B and E ν(OH) Bands and Coupling of Strong O–H···O and Weak O–H···F Vibrations

Room-Temperature FTIR Spectra of the Cyclic S4 (H2O)4 Cluster in Crystalline Li2(H2O)4(B12F12): Observation of B and E ν(OH) Bands and Coupling of Strong O–H···O and Weak O–H···F Vibrations

Thecloso‐Dodecaborate Dianion Fused with Oxazoles Provides 3D Diboraheterocycles with Selective Antimicrobial Activity

Molecular boron clusters

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Latent Porosity in Alkali-Metal M₂B₁₂F₁₂ Salts: Structures and Rapid Room-Temperature Hydration/Dehydration Cycles

Room-Temperature FTIR Spectra of the Cyclic S₄ (H₂O)₄ Cluster in Crystalline Li₂(H₂O)₄(B₁₂F₁₂): Observation of B and E ν(OH) Bands and Coupling of Strong O–H···O and Weak O–H···F Vibrations

Room-Temperature FTIR Spectra of the Cyclic S₄ (H₂O)₄ Cluster in Crystalline Li₂(H₂O)₄(B₁₂F₁₂): Observation of B and E ν(OH) Bands and Coupling of Strong O–H···O and Weak O–H···F Vibrations