Cross polarization and magic angle sample spinning NMR spectra of model organic compounds. 1. Highly protonated molecules

Journal Article · Wed Apr 20 04:00:00 EST 1983 · J. Am. Chem. Soc.; (United States)

DOI:https://doi.org/10.1021/ja00346a006· OSTI ID:5833414

Alemany, L B; Grant, D M; Pugmire, R J; Alger, T D; Zilm, K W

CP/MAS /sup 13/C NMR spectra were obtained at various contact times on ten solid organic compounds containing a variety of simple functional groups. The spectra show that signal intensities that agree with atomic ratios can be obtained with a contact time of 2.25 ms and often with a contact time as short as about 1 ms. Computer analysis of signal intensities obtained at a minimum of ten different contact times provides T/sub CH/ data that are consistent with these experimental results. The experimental results are also consistent with the previously reported lack of significant variation in the spectra of complex organic solids obtained with contact times of about 1 to 3 ms. In general, nonprotonated carbon atoms polarize more slowly than protonated carbon atoms. The compounds exhibit a wide range of proton spin lattice relaxation times. Some compounds exhibit more resonances than are found in the /sup 13/C(/sup 1/H) spectra of the compounds in solution because the crystalline environment removes the nominal spatial equivalence found for carbon atoms related to each other by unimolecular symmetry elements.

• Research Organization: Univ. of Utah, Salt Lake City
• DOE Contract Number: AC02-78ER05006
• OSTI ID: 5833414
• Journal Information: J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 105:8; ISSN JACSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400301* -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
ANTHRACENE
AROMATICS
BIBENZYL
BIPHENYL
CARBON 13
CARBON ISOTOPES
CARBOXYLIC ACIDS
COMPARATIVE EVALUATIONS
COMPUTER CALCULATIONS
CONDENSED AROMATICS
CONFIGURATION INTERACTION
DATA
ELEMENTS
ETHERS
EVEN-ODD NUCLEI
HYDROCARBONS
HYDROGEN
HYDROXY COMPOUNDS
INFORMATION
ISOTOPES
LIGHT NUCLEI
NAPHTHALENE
NMR SPECTRA
NONMETALS
NUCLEI
NUMERICAL DATA
ORGANIC ACIDS
ORGANIC COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
PHENOLS
RELAXATION
SOLIDS
SPECTRA
SPIN-LATTICE RELAXATION
STABLE ISOTOPES
THEORETICAL DATA