Vibrational spectroscopy of carboranes and parent boranes and its capabilities in carborane chemistry

Leites, L. A.

doi:10.1021/cr00010a006

Cited by 207 publications

(167 citation statements)

References 43 publications

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“…This is expected as the distortion of the cage by the polyhedral phosphorus is signifi cant. A somewhat similar effect is also observed for the various υ(B-H) stretch modes of 1,2-C 2 B 10 H 12 resulting in a number of closely lying vibrational bands between 2559 to 2623 cm −1 [54][55][56]. The strong bending δ (HCB) mode 1120 cm −1 observed for 1,2-PCB 10 H 11 has a similar loss energy of about 1140 cm −1 for 1,2-C 2 B 10 H 12 [54][55][56].…”

Section: Vibrational Modessupporting

confidence: 67%

“…A somewhat similar effect is also observed for the various υ(B-H) stretch modes of 1,2-C 2 B 10 H 12 resulting in a number of closely lying vibrational bands between 2559 to 2623 cm −1 [54][55][56]. The strong bending δ (HCB) mode 1120 cm −1 observed for 1,2-PCB 10 H 11 has a similar loss energy of about 1140 cm −1 for 1,2-C 2 B 10 H 12 [54][55][56]. Similarly, the υ(C-H) stretch mode observed at 3040 cm −1 for 1,2-PCB 10 H 11 has its counterpart at about 3064 cm −1 for 1,2-C 2 B 10 H 12 [54][55][56].…”

Section: Vibrational Modessupporting

confidence: 67%

“…The strong bending δ (HCB) mode 1120 cm −1 observed for 1,2-PCB 10 H 11 has a similar loss energy of about 1140 cm −1 for 1,2-C 2 B 10 H 12 [54][55][56]. Similarly, the υ(C-H) stretch mode observed at 3040 cm −1 for 1,2-PCB 10 H 11 has its counterpart at about 3064 cm −1 for 1,2-C 2 B 10 H 12 [54][55][56].…”

Section: Vibrational Modesmentioning

confidence: 70%

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The electronic structure of 1,2-PCB10H11 molecular films: a precursor to a novel semiconductor

et al. 2006

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Section: Vibrational Modessupporting

confidence: 67%

Section: Vibrational Modessupporting

confidence: 67%

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The electronic structure of 1,2-PCB10H11 molecular films: a precursor to a novel semiconductor

et al. 2006

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“…The IR spectra of the ball milled, dehydrogenated and rehydrogenated samples of 34 The latter peak is considered to be a fingerprint of closo boranes. 34 Based on the very weak intensity of the B-H stretching peaks, it is possible that the B-B-H bending and B-B stretching is obscured in the 1100700 cm -1 region.…”

Section: Infrared Studymentioning

confidence: 99%

Structural Changes Observed during the Reversible Hydrogenation of Mg(BH₄)₂ with Ni-Based Additives

et al. 2014

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“…This work dealt only with the o-carborane isomer. The attractive properties of mand p-carboranes 27) mean that complexation of these molecules with CDs is also of interest. It is noteworthy that b-CDbonded chiral stationary phases have been used for enantiomeric resolution in the ten-vertex carborane series, 28,29) implying a strong interaction of ten-vertex carborane with b-CD.…”

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confidence: 99%

Complexation of .ALPHA.-Cyclodextrin with Carborane Derivatives in Aqueous Solution

Ohta

Konno

Endo

2009

CHEMICAL & PHARMACEUTICAL BULLETIN

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NotesIcosahedral carboranes (dicarba-closo-dodecaboranes) have unique structural and chemical properties, such as high boron content, spherical structure, three isomers (ortho, meta and para), a highly hydrophobic surface, and unexpected thermal and chemical stability (Fig. 1).1,2) Biomedical applications of the carboranes, e.g., in boron neutron capture therapy (BNCT), are of great interest. [3][4][5] We have reported applications of carboranes in medicinal drug design as a hydrophobic component of biologically active molecules, 6) targeting nuclear receptors, such as estrogen receptor (ER), 7,8) androgen receptor (AR), 9,10) retinoic acid receptor (RAR) 11,12) and retinoid X receptor (RXR).13) It was suggested that the carborane cage works as a hydrophobic group for binding to the hydrophobic cavity of the ligand-binding domain (LBD) on the nuclear receptors, and that hydrophobic van der Waals contacts along the spherical carborane cage produce a stronger interaction than that in the case of the native ligand. In the development of carborane-containing estrogen ligands, we have investigated the hydrophobicity of carboranes by measuring the partition coefficients, log P values, and the hydrophobicity parameter p. 14,15) Cyclodextrins (CDs) are widely used as host molecules in a number of areas of chemistry where molecular recognition is required, such as material sciences, supramolecular chemistry, molecular-sensing, and artificial enzymes (Fig. 1). Moreover, CDs are of great utility in the field of medicinal chemistry as solubilizing agents for lipophilic drugs, [16][17][18] as photostabilizers of light-sensitive drugs, [19][20][21] and as sustained-release [16][17][18] and drug delivery systems [22][23][24] for various drugs.Complexes of a-, b-, and g-CD with unsubstituted ocarborane (1a) were isolated, and the stoichiometries of the complexes were determined by elemental analysis and from the ratios of the 1 H-NMR peaks.25) However, the stoichiometric ratio, association constant and complex formation in solution have not been well characterized. Recently, Threadgill and co-workers have reported the formation of a remarkably robust 2 : 1 complex of b-CD with 1-phenyl-o-carborane. 26)An excellent fit of the carborane cage with b-CD was confirmed by a molecular modelling study. This work dealt only with the o-carborane isomer. The attractive properties of mand p-carboranes 27) mean that complexation of these molecules with CDs is also of interest. It is noteworthy that b-CDbonded chiral stationary phases have been used for enantiomeric resolution in the ten-vertex carborane series, 28,29) implying a strong interaction of ten-vertex carborane with b-CD.However, the host-guest complexations of carboranes with CDs are not well understood. Therefore, we have focused on the interaction between the spherical, hydrophobic surface of carboranes and the hydrophobic pocket of CDs. Recently, we reported the complexation of carborane derivatives with b-CD, including association constant values and stoichiometry in aqueous ...

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Vibrational spectroscopy of carboranes and parent boranes and its capabilities in carborane chemistry

Cited by 207 publications

References 43 publications

The electronic structure of 1,2-PCB10H11 molecular films: a precursor to a novel semiconductor

The electronic structure of 1,2-PCB10H11 molecular films: a precursor to a novel semiconductor

Structural Changes Observed during the Reversible Hydrogenation of Mg(BH₄)₂ with Ni-Based Additives

Complexation of .ALPHA.-Cyclodextrin with Carborane Derivatives in Aqueous Solution

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Vibrational spectroscopy of carboranes and parent boranes and its capabilities in carborane chemistry

Cited by 207 publications

References 43 publications

The electronic structure of 1,2-PCB10H11 molecular films: a precursor to a novel semiconductor

The electronic structure of 1,2-PCB10H11 molecular films: a precursor to a novel semiconductor

Structural Changes Observed during the Reversible Hydrogenation of Mg(BH4)2 with Ni-Based Additives

Complexation of .ALPHA.-Cyclodextrin with Carborane Derivatives in Aqueous Solution

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Structural Changes Observed during the Reversible Hydrogenation of Mg(BH₄)₂ with Ni-Based Additives