Carbon-13 NMR Chemical Shifts Research Articles

End-group effect of styrene oligomers on the carbon-13 NMR chemical shift

Spectres du dimere au pentamere ayant des groupes terminaux propyl et pentyl. Comparaison avec des groupes terminant methyl

Carbon-13 NMR chemical shifts and the microstructure of propylene-vinyl chloride copolymers with low propylene content

Carbon-13 NMR chemical shifts and the microstructure of propylene-vinyl chloride copolymers with low propylene content

The Carbon-13 NMR Chemical Shift of Poly(1-butene) Referring to that of 2,4,6,8,10,12,14,16,18-Nonaethylnonadecane and a Comparison of the Chemical Shifts between Poly(1-butene) and Polypropylene

The chemical shifts were calculated for diastereomers of 2,4,6,8,10,12,14,16,18-nonaethylnonadecane (NEND), in which the methylene C9 and methine C10 of the backbone chain and methylene C10 and methyl C10 of the side chain serve as models of CH2 (backbone), CH, CH2 (side chain), and CH3 of poly(1-butene) (PB), respectively. The so-called γ effect and Suter–Flory rotational isomeric model were taken into account in the calculation. Additional repulsive interaction, τ*=0.6 between the ethyl group of the side chain and backbone was also considered when both adjacent backbone bonds were trans. The γ interaction was clarified to be important between the methylene carbons of the backbone chain and methyl carbons of the side chain. The methylene (tetrad) and methine (pentad) carbons of the backbone chain and the methylene (pentad) and methyl (pentad) carbons of the side chain of isotactic PB were successfully assigned to stereosequences by a comparison with the calculated spectra of NEND. A similar calculation was done for the chemical shifts of the methylene C9, methine C10, and methyl C10 of 2,4,6,8,10,12,14,16,18-nonamethyl nonadecane as a polypropylene (PP) model in order to determine the propriety of the calculated chemical shifts for NEND by comparison. Agreement between the calculted and observed chemical shifts of all carbons was excellent for both PB and PP.

ChemInform Abstract: CARBON‐13 NMR CHEMICAL SHIFTS AND RELAXATION TIMES AS A PROBE OF STRUCTURAL AND DYNAMIC PROPERTIES IN ALKALI AND ALKALINE EARTH METAL CRYPTATE COMPLEXES

Chemischer InformationsdienstVolume 15, Issue 29 Preparative Organic Chemistry ChemInform Abstract: CARBON-13 NMR CHEMICAL SHIFTS AND RELAXATION TIMES AS A PROBE OF STRUCTURAL AND DYNAMIC PROPERTIES IN ALKALI AND ALKALINE EARTH METAL CRYPTATE COMPLEXES L. ECHEGOYEN, L. ECHEGOYENSearch for more papers by this authorA. KAIFER, A. KAIFERSearch for more papers by this authorH. D. DURST, H. D. DURSTSearch for more papers by this authorG. W. GOKEL, G. W. GOKELSearch for more papers by this author L. ECHEGOYEN, L. ECHEGOYENSearch for more papers by this authorA. KAIFER, A. KAIFERSearch for more papers by this authorH. D. DURST, H. D. DURSTSearch for more papers by this authorG. W. GOKEL, G. W. GOKELSearch for more papers by this author First published: July 17, 1984 https://doi.org/10.1002/chin.198429137Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat No abstract is available for this article. Volume15, Issue29July 17, 1984 RelatedInformation

Magnetic properties and induced current density in acetylene

AbstractCoupled Hartree–Fock perturbation theory, within the framework of an accurate calculation, has been employed to visualize the electronic current density vector field induced by an external uniform magnetic field in the acetylene molecule. The current regime in a plane containing the molecular axis is rather different from those usually accounted for, evidencing the presence of a toroidal vortex in the CH bond. The maps are useful in rationalizing the experimentally observed proton and carbon NMR chemical shifts.

Correlation between carbon-13 NMR chemical shifts and conformation of polymers. 4. Solid-state spectra of poly(3-methyl-1-pentene)

Correlation between carbon-13 NMR chemical shifts and conformation of polymers. 4. Solid-state spectra of poly(3-methyl-1-pentene)

Conformation-dependent carbon-13 NMR chemical shifts of poly(L-alanine) in the solid state: FPT INDO calculation of N-acetyl-N'-methyl-L-alanine amide as a model compound of poly(L-alanine)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTConformation-dependent carbon-13 NMR chemical shifts of poly(L-alanine) in the solid state: FPT INDO calculation of N-acetyl-N'-methyl-L-alanine amide as a model compound of poly(L-alanine)Isao Ando, Hazime Saito, Ryoko Tabeta, Akira Shoji, and Takuo OzakiCite this: Macromolecules 1984, 17, 3, 457–461Publication Date (Print):March 1, 1984Publication History Published online1 May 2002Published inissue 1 March 1984https://doi.org/10.1021/ma00133a036RIGHTS & PERMISSIONSArticle Views186Altmetric-Citations86LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (641 KB) Get e-Alerts Get e-Alerts

Carbon-13 NMR chemical shifts and relaxation times as a probe of structural and dynamic properties in alkali and alkaline earth metal cryptate complexes

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTCarbon-13 NMR chemical shifts and relaxation times as a probe of structural and dynamic properties in alkali and alkaline earth metal cryptate complexesLuis Echegoyen, Angel Kaifer, H. Dupont Durst, and George W. GokelCite this: J. Org. Chem. 1984, 49, 4, 688–690Publication Date (Print):February 1, 1984Publication History Published online1 May 2002Published inissue 1 February 1984https://doi.org/10.1021/jo00178a023RIGHTS & PERMISSIONSArticle Views224Altmetric-Citations12LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (402 KB) Get e-Alerts Get e-Alerts

Conformational origin of the nonequivalent carbon-13 NMR chemical shifts observed for the isopropyl methyl carbons in branched alkanes

Conformational origin of the nonequivalent carbon-13 NMR chemical shifts observed for the isopropyl methyl carbons in branched alkanes

Correlation of 13C and 15N nuclear magnetic resonance chemical shifts with polarographic reduction potentials of para-substituted benzenediazonium salts and their electronic structures

Carbon-13 and nitrogen-15 nmr chemical shifts of benzenediazonium salt and its para-substituted derivatives have been measured in sulfolane solutions. The chemcial shifts of 13C1 correlate linearly with the polarographic half-wave potentials. This relation indicates the linear increase of electron densities at C1 with the increase of electron-donating power of the substituents. Non-linear relationships between 15N shifts of both nitrogen nuclei and the half-wave potentials were partly attributed to the second-order paramagnetic contributions to the 15N shifts. This contribution is approximately proportional to the inverse of the uv absorption frequencies. Overall results suggest that in the ground state resonance structures of the benzenediazonium salts, the rehybridization of the C1—N1 bond is very unlikely and this bond remains as a single bond.

Comparative XPS, NMR and IR study of the back-bonding to the carbonyl groups in (C 6H 5) 3− nPX nCr(CO) 5 derivatives (X  Cl, Br, I, H; n = 0−3)

Linear correlations are shown to exist between the characteristic infrared CO frequency ν(CO) A 1 (eq.), the carbonyl carbon NMR chemical shift δ13 C(CO) and the XPS Cl s(CO) and 01 s(CO) binding energy for the compounds with general formula (C 6H 5) 3 nPX nCr(CO) 5 (X  Cl, Br, I, H; n = 0−3). This is considered sufficient proof that these experimental parameters can be used as a measure of the ( d Cr → π*)π back-bonding in these complexes.

ChemInform Abstract: CORRELATION OF RING‐JUNCTION STEREOCHEMISTRY IN A‐AROMATIC OCTAHYDROPHENANTHRENES WITH CARBON‐13 NMR CHEMICAL SHIFTS

Chemischer InformationsdienstVolume 14, Issue 33 Physical Organic Chemistry ChemInform Abstract: CORRELATION OF RING-JUNCTION STEREOCHEMISTRY IN A-AROMATIC OCTAHYDROPHENANTHRENES WITH CARBON-13 NMR CHEMICAL SHIFTS T. TERASAWA, T. TERASAWASearch for more papers by this authorY. YOSHIMURA, Y. YOSHIMURASearch for more papers by this authorK. TORI, K. TORISearch for more papers by this author T. TERASAWA, T. TERASAWASearch for more papers by this authorY. YOSHIMURA, Y. YOSHIMURASearch for more papers by this authorK. TORI, K. TORISearch for more papers by this author First published: August 16, 1983 https://doi.org/10.1002/chin.198333066AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat No abstract is available for this article. Volume14, Issue33August 16, 1983 RelatedInformation

ChemInform Abstract: NITROGEN‐15/NITROGEN‐14 ISOTOPE EFFECTS ON THE CARBON‐13 NMR CHEMICAL SHIFTS OF AZOBENZENE AND BENZO(C)CINNOLINE

Chemischer InformationsdienstVolume 14, Issue 10 Physical Organic Chemistry ChemInform Abstract: NITROGEN-15/NITROGEN-14 ISOTOPE EFFECTS ON THE CARBON-13 NMR CHEMICAL SHIFTS OF AZOBENZENE AND BENZO(C)CINNOLINE Y. KURODA, Y. KURODASearch for more papers by this authorY. FUJIWARA, Y. FUJIWARASearch for more papers by this author Y. KURODA, Y. KURODASearch for more papers by this authorY. FUJIWARA, Y. FUJIWARASearch for more papers by this author First published: March 8, 1983 https://doi.org/10.1002/chin.198310060AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat No abstract is available for this article. Volume14, Issue10March 8, 1983 RelatedInformation

ChemInform Abstract: STABLE CARBOCATIONS. 244. USE OF 2-THIENYL, 2-FURYL, 5-ETHYL-2-FURYL, AND PROTONATED 4-ACETYLPHENYL SUBSTITUENTS IN CARBON-13 NMR CHEMICAL SHIFT CORRELATIONS

Chemischer InformationsdienstVolume 14, Issue 8 Physical Organic Chemistry ChemInform Abstract: STABLE CARBOCATIONS. 244. USE OF 2-THIENYL, 2-FURYL, 5-ETHYL-2-FURYL, AND PROTONATED 4-ACETYLPHENYL SUBSTITUENTS IN CARBON-13 NMR CHEMICAL SHIFT CORRELATIONS G. A. OLAH, G. A. OLAHSearch for more papers by this authorA. L. BERRIER, A. L. BERRIERSearch for more papers by this authorG. K. S. PRAKASH, G. K. S. PRAKASHSearch for more papers by this author G. A. OLAH, G. A. OLAHSearch for more papers by this authorA. L. BERRIER, A. L. BERRIERSearch for more papers by this authorG. K. S. PRAKASH, G. K. S. PRAKASHSearch for more papers by this author First published: February 22, 1983 https://doi.org/10.1002/chin.198308052AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinkedInRedditWechat No abstract is available for this article. Volume14, Issue8February 22, 1983 RelatedInformation

A carbon-13 nuclear magnetic resonance study of a series of 5-substituted benzimidazoles

Carbon-13 nmr chemical shift assignments are reported for a series of 5-substituted benzimidazoles, 2-methylbenzimidazole, and 5,6-dimethylbenzimidazole. By employing the three-parameter equation of Smith and Proulx, the chemical shifts of all the ring carbons of the 5-substituted compounds are correlated with F and R of Swain and Lupton and Q of Schaefer; only the ipso carbon, C-5, has chemical shifts with a correlation coefficient less than 0.953. These correlations are compared with those obtained from the Swain–Lupton and Taft relationships; in general those from the latter two approaches are found to be less satisfactory. Correlations of the same chemical shifts with excess charge density values, calculated at the INDO level of approximation, are also presented.

Nitrogen-15/nitrogen-14 isotope effects on the carbon-13 NMR chemical shifts of azobenzene and benzo[c]cinnoline

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTNitrogen-15/nitrogen-14 isotope effects on the carbon-13 NMR chemical shifts of azobenzene and benzo[c]cinnolineYoshihiro Kuroda and Yasuhiro FujiwaraCite this: J. Phys. Chem. 1982, 86, 25, 4913–4918Publication Date (Print):December 1, 1982Publication History Published online1 May 2002Published inissue 1 December 1982https://doi.org/10.1021/j100222a016RIGHTS & PERMISSIONSArticle Views99Altmetric-Citations13LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (801 KB) Get e-Alerts

Organometallic chemistry. 19. Correlation of silicon-29 and carbon-13 NMR chemical shifts in analogous compounds. Application in attempted preparation of silicenium ions

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTOrganometallic chemistry. 19. Correlation of silicon-29 and carbon-13 NMR chemical shifts in analogous compounds. Application in attempted preparation of silicenium ionsGeorge A. Olah and Leslie D. FieldCite this: Organometallics 1982, 1, 11, 1485–1487Publication Date (Print):November 1, 1982Publication History Published online1 May 2002Published inissue 1 November 1982https://doi.org/10.1021/om00071a016RIGHTS & PERMISSIONSArticle Views455Altmetric-Citations55LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (381 KB) Get e-Alerts Get e-Alerts

ChemInform Abstract: CARBON‐13 NMR CHEMICAL SHIFTS OF CHLORINATED AND FLUORINATED PHTHALIC ANHYDRIDES AND ACIDS

Chemischer InformationsdienstVolume 13, Issue 22 Physical Organic Chemistry ChemInform Abstract: CARBON-13 NMR CHEMICAL SHIFTS OF CHLORINATED AND FLUORINATED PHTHALIC ANHYDRIDES AND ACIDS M. J. FIFOLT, M. J. FIFOLTSearch for more papers by this authorS. A. SOJKA, S. A. SOJKASearch for more papers by this authorR. A. WOLFE, R. A. WOLFESearch for more papers by this author M. J. FIFOLT, M. J. FIFOLTSearch for more papers by this authorS. A. SOJKA, S. A. SOJKASearch for more papers by this authorR. A. WOLFE, R. A. WOLFESearch for more papers by this author First published: June 1, 1982 https://doi.org/10.1002/chin.198222064Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat No abstract is available for this article. Volume13, Issue22June 1, 1982 RelatedInformation

ChemInform Abstract: CARBON‐13 NMR CHEMICAL SHIFTS OF DIAMAGNETIC PYRIDINE COMPLEXES OF SILVER(I), ZINC(II), AND CADMIUM(II): EVIDENCE FOR A CORRELATION OF CHEMICAL SHIFT AND METAL ION POLARIZING ABILITY

Chemischer InformationsdienstVolume 13, Issue 2 Physical Organic Chemistry ChemInform Abstract: CARBON-13 NMR CHEMICAL SHIFTS OF DIAMAGNETIC PYRIDINE COMPLEXES OF SILVER(I), ZINC(II), AND CADMIUM(II): EVIDENCE FOR A CORRELATION OF CHEMICAL SHIFT AND METAL ION POLARIZING ABILITY D. K. LAVALLEE, D. K. LAVALLEESearch for more papers by this authorJ. D. DOI, J. D. DOISearch for more papers by this author D. K. LAVALLEE, D. K. LAVALLEESearch for more papers by this authorJ. D. DOI, J. D. DOISearch for more papers by this author First published: January 12, 1982 https://doi.org/10.1002/chin.198202054AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinkedInRedditWechat No abstract is available for this article. Volume13, Issue2January 12, 1982 RelatedInformation

Carbon-13 NMR chemical shifts of chlorinated and fluorinated phthalic anhydrides and acids

Carbon-13 NMR chemical shifts of chlorinated and fluorinated phthalic anhydrides and acids