Low-temperature carbon-13 magnetic resonance in solids. 3. Linear and pseudolinear molecules

Beeler, Alvin J.; Orendt, Anita M.; Grant, David M.; Cutts, Peter W.; Michl, Josef; Zilm, Kurt W.; Downing, J. W.; Facelli, Julio C.; Schindler, Michael; Kutzelnigg, Werner

doi:10.1021/ja00337a003

Cited by 154 publications

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“…These resonances may be compared with pure allene, which displays shifts at δ = 75 and 213 ppm, originating from the end and central carbons of the three-carbon chains, respectively. 42 These observations are consistent with the presence of an allylenide-type carbide, where the resonances are shifted upfield from the case of pure C 3 H 4 . These results are similar to other C 3 4− carbides including Ca 3 Cl 2 C 3 , which shows resonances at 122 and 173 ppm, 43 and LiCa 2 C 3 H, which has resonances at 126 and 225 ppm in an approximate 2:1 ratio.…”

Section: ■ Results and Discussionsupporting

confidence: 80%

Synthesis of β-Mg₂C₃: A Monoclinic High-Pressure Polymorph of Magnesium Sesquicarbide

et al. 2014

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A new monoclinic variation of Mg 2 C 3 was synthesized from the elements under high-pressure (HP), high-temperature (HT) conditions. Formation of the new compound, which can be recovered to ambient conditions, was observed in situ using X-ray diffraction with synchrotron radiation. The structural solution was achieved by utilizing accurate theoretical results obtained from ab initio evolutionary structure prediction algorithm USPEX. Like the previously known orthorhombic Pnnm structure (α-Mg 2 C 3 ), the new monoclinic C2/m structure (β-Mg 2 C 3 ) contains linear C 3 4− chains that are isoelectronic with CO 2 . Unlike α-Mg 2 C 3 , which contains alternating layers of C 3 4− chains oriented in opposite directions, all C 3 4− chains within β-Mg 2 C 3 are nearly aligned along the crystallographic c-axis. Hydrolysis of β-Mg 2 C 3 yields C 3 H 4 , as detected by mass spectrometry, while Raman and NMR measurements show clear CC stretching near 1200 cm −1 and 13 C resonances confirming the presence of the rare allylenide anion.

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Section: ■ Results and Discussionsupporting

confidence: 80%

Synthesis of β-Mg₂C₃: A Monoclinic High-Pressure Polymorph of Magnesium Sesquicarbide

et al. 2014

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“…graphical procedure of Herzfeld and Berger (20). The values of a (13C and I5N) obtained here for the thiocyanate ion are compared to the corresponding values observed for other linear molecules with a C, axis (21,22). The importance of these shielding constants in defining an absolute shielding scale is discussed.…”

Section: Introductionmentioning

confidence: 70%

“…In Table 1 we have compared absolute values of u, (C) and u 11 (C) obtained here for NCS-with those recently reported for several related linear molecules (21). Also in Table 1 …”

Section: Methodsmentioning

confidence: 82%

A ¹³C and ¹⁵N nuclear magnetic resonance study of solid ammonium thiocyanate

Dickson¹,

McKinnon²,

Britten³

et al. 1987

Can. J. Chem.

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The static 13C nmr powder pattern for solid ammonium thiocyanate is analyzed to obtain the 13C chemical shielding anisotropy, 321 ± 7 ppm, and the 13C–14N dipolar splitting, 1295 ± 25 Hz. Slow magic angle spinning 15N nmr experiments are analyzed to obtain a nitrogen chemical shielding anisotropy of 415 ± 15 ppm. The 13C–14N dipolar splitting leads to an effective C—N bond length of 1.19 ± 0.01 Å, in good agreement with the value of 1.176 Å reported from accurate X-ray and neutron crystallographic studies. In solid NH4NCS absolute values of the average shielding constants [Formula: see text] and ct[Formula: see text] are 52 and 34 ppm, respectively. Comparison of calculated and observed [Formula: see text] values indicates that intermolecular interactions decrease the 13C and 15N shielding constants by approximately 10 and 30 ppm, respectively.

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“…Under magic angle spinning (MAS) conditions, two sharp resonances at 142.4 and 183.9 ppm are detected. These resonances can unambiguously be assigned to C 60 (pure C 60 : 143 ppm [11]) and CO (pure CO: 182.2 ppm [12]). …”

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confidence: 98%

Rovibrational Motion of CO in SolidC60

et al. 1997

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Low-temperature carbon-13 magnetic resonance in solids. 3. Linear and pseudolinear molecules

Cited by 154 publications

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Synthesis of β-Mg₂C₃: A Monoclinic High-Pressure Polymorph of Magnesium Sesquicarbide

Synthesis of β-Mg₂C₃: A Monoclinic High-Pressure Polymorph of Magnesium Sesquicarbide

A ¹³C and ¹⁵N nuclear magnetic resonance study of solid ammonium thiocyanate

Rovibrational Motion of CO in SolidC60

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Low-temperature carbon-13 magnetic resonance in solids. 3. Linear and pseudolinear molecules

Cited by 154 publications

References 0 publications

Synthesis of β-Mg2C3: A Monoclinic High-Pressure Polymorph of Magnesium Sesquicarbide

Synthesis of β-Mg2C3: A Monoclinic High-Pressure Polymorph of Magnesium Sesquicarbide

A 13C and 15N nuclear magnetic resonance study of solid ammonium thiocyanate

Rovibrational Motion of CO in SolidC60

Contact Info

Product

Resources

About

Synthesis of β-Mg₂C₃: A Monoclinic High-Pressure Polymorph of Magnesium Sesquicarbide

Synthesis of β-Mg₂C₃: A Monoclinic High-Pressure Polymorph of Magnesium Sesquicarbide

A ¹³C and ¹⁵N nuclear magnetic resonance study of solid ammonium thiocyanate