Fine structure in the solution state 13C-NMR spectrum of C60 and its endofullerene derivatives

The title complex is asymmetric in the crystal due to the spatial orientation of the NCS function. The space group has been determined to be P21 with a = 9.496(3), b = 8.736(3), c = 9.676(3) Å, β = 117.859(5)°, and Z = 2. The solid state 13C NMR spectrum is consistent with the lack of symmetry in the crystal and there is little evidence for large amplitude motion in the macrocycle as determined from the dipolar dephased spectrum.Key words: macrocyclic crown ether, lithium complex.

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An unprecedented up-field shift in the 13C NMR spectrum of the carboxyl carbons of the lantern-type dinuclear complex TBA[Ru2(O2CCH3)4Cl2] (TBA+ = tetra(n-butyl)ammonium cation)

Dalton Transactions ◽

10.1039/c5dt01680k ◽

2015 ◽

Vol 44 (30) ◽

pp. 13439-13443 ◽

Cited By ~ 8

Author(s):

Yuya Hiraoka ◽

Takahisa Ikeue ◽

Hiroshi Sakiyama ◽

Frédéric Guégan ◽

Dominique Luneau ◽

...

Keyword(s):

13C Nmr ◽

Ammonium Cation ◽

Dinuclear Complex ◽

Nmr Spectrum ◽

Field Shift ◽

C Nmr

A remarkable up-field shift was found for the carboxyl carbons of TBA[Ru2(O2CCH3)4Cl2] in the 13C NMR spectrum.

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Darstellung, 11B-, 13C-NMR- und Schwingungsspektren der closo-Hexaborate [B6H5(CN)12- und cis-[B6H4(CN)2]2− sowie Kristallstruktur von Cs2[B6H5(CN)] / Preparation, 11B,13C NMR and Vibrational Spectra of the closo-Hexaborates [B6H5(CN)]2- and cis-[B6H4(CN)2]2-, and the Crystal Structure of Cs2[B6H5(CN)]

Zeitschrift für Naturforschung B ◽

10.1515/znb-1993-0509 ◽

1993 ◽

Vol 48 (5) ◽

pp. 598-602 ◽

Cited By ~ 9

Author(s):

W. Preetz ◽

A. Franken ◽

M. Rath

Keyword(s):

Crystal Structure ◽

13C Nmr ◽

Exchange Chromatography ◽

Monoclinic Space Group ◽

X Ray Diffraction ◽

Nmr Spectrum ◽

Diethylaminoethyl Cellulose ◽

Ir And Raman ◽

C Nmr

By reaction of Cs2[B6H6] with in situ generated dicyanogen in aqueous alkaline solution the monocyanohydrohexaborate Cs2[B6H5(CN)] and the dicyanohydrohexaborate cis-Cs2[B6H4(CN)2] are formed. The compounds have been separated by ion exchange chromatography on diethylaminoethyl cellulose. The crystal structure of Cs2[B6H5(CN)] was determined from single crystal X-ray diffraction analysis; monoclinic, space group P21/a with a = 9.540(8), b = 9.977(3), c = 10.578(2)Å, β = 105.06(2)°. The B6 octahedron is compressed in the direction of the nearly linear B—CN bond by about 5%, with bond lengths between 1.71 and 1.76Å. The "B NMR spectra of the two compounds reveal the features of substituted B6 cages with C4v and C2v point symmetry. In the 13C NMR spectrum of Cs2[B6H5(CN)] a quartet at -139 ppm with 1J(C,B) 92 Hz is observed. The IR and Raman spectra exhibit very strong CN stretching bands for Cs2[B6H5(CN)] at 2149, and for cis-Cs2[B6H4(CN)2] at 2170 cm-1.

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13C-NMR-Spektroskopie an polycyclischen Aromaten, IV Das 13C-NMR-Spektrum von 1-Aminopyren / 13C NMR Spectroscopy of Polycyclic Aromatics, IV The 13C NMR Spectrum of 1-Aminopyrene

Zeitschrift für Naturforschung B ◽

10.1515/znb-1975-9-1028 ◽

1975 ◽

Vol 30 (9-10) ◽

pp. 800-803 ◽

Cited By ~ 5

Author(s):

Ludger Ernst

Keyword(s):

Nmr Spectroscopy ◽

13C Nmr ◽

High Field ◽

Chemical Shifts ◽

Double Resonance ◽

Substituent Effects ◽

13C Nmr Spectroscopy ◽

Polycyclic Aromatics ◽

Nmr Spectrum ◽

C Nmr

In the 13C NMR spectrum of ] -aminopyrene (1) in [D6] acetone all carbon atoms are anisochronous. Most of the sixteen signals can be safely assigned by selective 13C{1H}double resonance experiments and by the interpretation of proton-coupled 13C as well as with the aid of off-resonance noise-decoupled 13C{1H} spectra. Substituent effects on chemical shifts in rings A, B, and D are compared with those of the 1- and 2-aminonaphthalenes (2, 3). Even in ring C, most distant from the substituent, relatively strong high-field shifts are observed which are ascribed to mesomerism.

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Darstellung, 11B-, 13C-NMR-und Schwingungsspektren von Aminom ethylhexahydro-closo-hexaborat(1-), [B6H6(CH2NH2)]- sowie Kristallstrukturen von Cs[B6H6(CH2NH2)] und K[B6H6(CH2NH2)] / Preparation, 11B, 13C NMR and Vibrational Spectra of Aminomethylhexahydro-closo-hexaborate(1-), [B6H6(CH2NH2)]-, and Crystal Structures of Cs[B6H6(CH2NH2)] and K[B6H6(CH2NH2)]

Zeitschrift für Naturforschung B ◽

10.1515/znb-1994-0917 ◽

1994 ◽

Vol 49 (9) ◽

pp. 1267-1271 ◽

Cited By ~ 1

Author(s):

A. Franken ◽

W. Preetz

Keyword(s):

Single Crystal ◽

Diffraction Analysis ◽

Crystal Structures ◽

13C Nmr ◽

Vibrational Spectra ◽

Monoclinic Space Group ◽

X Ray Diffraction ◽

Nmr Spectrum ◽

X Ray ◽

C Nmr

By reaction of [B6H6]2- with N-(chloromethyl)phthalimide in dichloromethane the intermediate phthalimidomethylhexahydro-closo-hexaborate(1-), [B6H6(CH2(NC8O2H4)]-, is formed which with an excess of hydrazine reacts to give am inomethylhexahydro-closo-hexaborate(1-). The crystal structures of Cs[Bf,H6(CH2NH2)] and K[B6H6(CH2NH2)] have been determined by single crystal X -ray diffraction analysis. They are monoclinic, space group C2/m with a = 11.123(6), b = 6.8441(11), c = 12.810(7) Å, β = 124.032(5)° for Cs[B6H6(CH2NH2)] and with a = 10.767(2), b = 6.6255(6), c = 12.2648(14) Å, β = 123.880(10")° for K [B6H6(CH2NH2)]. The 11B NMR spectrum is consistent with a monohetero substituted octahedral B6 cage with local C4v symmetry. In the 13C NMR spectrum of Cs[B6H6(CH2NH2)] a quartet at 32.7 ppm with 1J(C,B) 65 Hz is observed. The IR and Ram an spectra exhibit characteristic CH, NH, BH and B6 vibrations

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Electronic effects on crown ether conformation. X-ray crystal structure and 13C NMR study in solution and the solid phase of 4-nitrobenzo-9-crown-3 ether

Canadian Journal of Chemistry ◽

10.1139/v94-223 ◽

1994 ◽

Vol 72 (8) ◽

pp. 1764-1768 ◽

Cited By ~ 7

Author(s):

G. W. Buchanan ◽

A. B. Driega ◽

A. Moghimi ◽

C. Bensimon

Keyword(s):

Crystal Structure ◽

Crown Ether ◽

13C Nmr ◽

Solid Phase ◽

Electronic Effects ◽

Nmr Spectrum ◽

X Ray ◽

Nmr Study ◽

C Nmr

The X-ray crystal structure of the title material has been determined and the results are compared to previous findings for benzo-9-crown-3 itself. The 13C NMR spectrum in solution has been unambiguously assigned using COSY and HETCOR methods. The solid phase 13C spectrum has been obtained and the 7, 10-d4 derivative has been examined to aid in spectral assignments.

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Darstellung, 11B-, 13C-NMR-und Schwingungsspektren von Cyanomethylhexahydro-closo-Hexaborat(Hexaborat(1-), [B6H6(CH2CN)]– sowie Kristallstruktur von [P(C6H5)4][B6H6(CH2CN)] / Preparation, 11B, 13C NMR and Vibrational Spectra of Cyanomethylhexahydro-closohexaborate(1-), [B6H6(CH2CN)]- and the Crystal Structure of [P(C6H5)4][B6H6(CH2CN)]

Zeitschrift für Naturforschung B ◽

10.1515/znb-1994-0407 ◽

1994 ◽

Vol 49 (4) ◽

pp. 471-476 ◽

Cited By ~ 2

Author(s):

A. Franken ◽

W. Preetz

Keyword(s):

Crystal Structure ◽

13C Nmr ◽

Exchange Chromatography ◽

X Ray Diffraction ◽

Nmr Spectrum ◽

Triclinic Space Group ◽

X Ray ◽

Diethylaminoethyl Cellulose ◽

Ir And Raman ◽

C Nmr

By reaction of [B6H6]2- with chloroacetonitrile in dichloromethane the cyanomethylhexahy-dro-closo-hexaborate(1-), [B6H6(CH2CN)]- is formed. The com pound has been separated from excess [B6H6]2- by ion exchange chromatography on diethylaminoethyl cellulose. The crystal structure of [P(C6H5)4][B6H6(CH2CN)] has been determined by single crystal X-ray diffraction analysis; triclinic, space group P1 with a = 7.503(3), b = 12.0949(8), c = 14.6572(11) Å α = 79.399(6)°, β = 79.19(2)°, γ = 89.2(2)°. The 11B NMR spectrum is consistent with a mono hetero substituted octahedral B6 cage. In the 13C NMR spectrum of Cs2[B6H5(CH2CN)] a singlet at 131.9 ppm (CN) and a quartet at 2.97 ppm with 1J(C,B) = 54.7 Hz (CH2) are observed. The IR and Raman spectra exhibit a very strong CN stretching band at 2218 cm-1.

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Notizen:13C-NMR Chemical Shift Anisotropy of Acetylene

Zeitschrift für Naturforschung A ◽

10.1515/zna-1972-1033 ◽

1972 ◽

Vol 27 (10) ◽

pp. 1536-1537 ◽

Cited By ~ 12

Author(s):

Gerhard Englert

Keyword(s):

Liquid Crystal ◽

Chemical Shift ◽

Nematic Liquid Crystal ◽

13C Nmr ◽

Chemical Shift Anisotropy ◽

Isotropic Phase ◽

Nmr Spectrum ◽

Chemical Shift Difference ◽

Shielding Tensor ◽

C Nmr

Abstract The 13C-NMR spectrum at 22.63 MHz and the PMR spectrum at 90 MHz of 13C enriched acetylene oriented in a nematic liquid crystal were measured by the pulsed Fourier technique and analysed. From the chemical shift difference between the nematic and the isotropic phase the anisotropy of the 13C shielding tensor of acetylene Δσ=+253 + 17 ppm was calculated.

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13C-NMR Chemical Shift Anisotropy in Benzene-l-13C

Zeitschrift für Naturforschung A ◽

10.1515/zna-1972-0430 ◽

1972 ◽

Vol 27 (4) ◽

pp. 715-716 ◽

Cited By ~ 16

Author(s):

Gerhard Englert

Keyword(s):

Chemical Shift ◽

13C Nmr ◽

Chemical Shift Anisotropy ◽

Isotropic Phase ◽

Nmr Spectrum ◽

Chemical Shift Difference ◽

A Value ◽

Liquid Crys ◽

L 13 ◽

C Nmr

Abstract The 13 C-NMR spectrum obtained by the pulsed Fourier technique, of benzene-l-13 C oriented in a nematic liquid crys-tal was analysed. From the chemical shift difference between the nematic and isotropic phase a value for the 13 C chemical shift anisotropy in benzene-l-13 C of +190 ppm was determin-ed.

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13C NMR spectra of 1-aryl-ferrocenylethylenes

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19860670 ◽

1986 ◽

Vol 51 (3) ◽

pp. 670-676 ◽

Cited By ~ 5

Author(s):

Eva Solčániová ◽

Štefan Toma ◽

Tibor Liptaj

Keyword(s):

13C Nmr ◽

Nmr Spectra ◽

Substituent Effects ◽

13C Nmr Spectra ◽

Bridge Group ◽

C Nmr ◽

Electron Effects

13C NMR spectra of 18 ferrocene analogues of trans stilbenes (1-aryl-2-ferrocenylethylenes) were measured. It was found that bridge group weakens the transfer of the substituent electron effects into ferrocene nucleus, especially distinctly into 3',4'positions of cyclopentadienyl ring. The transfer of substituent effects into β-position of the bridge -CH=CH- is greater in derivatives studied by us than in stilbenes. Synthesis of 1-(4-dimethylaminophenyl)-2-ferrocenylethylene is described.

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