Matrix Isolation ESR Study Research Articles

Matrix Isolation ESR and Theoretical Study of ZnN

The Zn14N, 67Zn14N, Zn15N, and 67Zn15N radicals have been formed by the reaction of a plume of zinc metal produced with laser ablation and either ammonia vapor or nitrogen atoms isolated in an inert neon matrix at 4.3 K. The ground electronic state of ZnN was determined to be 4∑- using electron spin resonance spectroscopy. The following magnetic parameters were determined experimentally for ZnN: g⊥ = 1.9998(3), g∥ = 2.0018(3), | D| = 7268(8) MHz, A⊥(14N) = -17.9(20) MHz, A∥(14N) = 1.5(20) MHz, A⊥(15N) = 25.1(20) MHz, A∥(15N)= -2.0(20) MHz, A⊥(67Zn) = 156(3) MHz, and A∥(67Zn) = 168(12) MHz. The low-lying electronic states of ZnN were also investigated using the complete active space self-consistent field technique. By plotting the potential energy surface, theoretical parameters for the ground state with a configuration of 8σ29σ210σ14π2 were determined, including re = 2.079 Å and De = 1.0 kcal/mol.

A matrix isolation ESR and theoretical study of MgN.

Matrix isolation experiments have been conducted on the Mg14N, 25Mg14N, Mg15N, and 25Mg15N radicals which were formed by the reaction of a plume of magnesium metal produced with laser ablation and either acetonitrile vapour or nitrogen atoms. The radicals were isolated in an inert neon matrix at 4.3 K and studied with electron spin resonance spectroscopy. The ground electronic state of MgN was determined to be 4Σ-. The following magnetic parameters were determined experimentally for MgN: g⊥ = 2.004 78 (2), g∥ = 2.001 72 (4), |D| = 9797 (6) MHz, A⊥(14N) = 19.7 (2) MHz, A∥ (14N) = -4.0 (3) MHz, A⊥(15N) = 27.5 (3) MHz, A∥ (15N) = -5.7 (3) MHz, A⊥ (25Mg) = -60.7 (5) MHz, and A∥(25Mg) = -65 (3) MHz. The low-lying electronic states of MgN were also investigated using the complete active space multiconfigurational self-consistent field technique. By plotting the potential energy surface, theoretical parameters for the ground state with a configuration of 5σ26σ27σ12π12π1 were able to be determined, including re = 2.090 Å and De = 11.28 kcal/mol.

ChemInform Abstract: Succinimidyl and Phthalimidyl Radicals: Matrix Isolation ESR Study.

Succinimidyl radical, phthalimidyl radical, and 1,8-naphthalimidyl radical were generated in argon matrices by cocondensation of Na atoms and corresponding imide triflates at near liquid helium temperature. Spontaneous Na atom-to-triflate electron transfer occurred, and the resulting anions spontaneously dissociated to yield imidyl radicals and triflate anions. In the case of succinimidyl triflate, the observed ESR spectrum was determined as that of β-(isocyanatocarbonyl)ethyl radicals resulting from ring-opening of the succinimidyl radical

Dissociative Electron Capture of Hydrogen-Bonded Hydroxy Groups: Molecular Dynamics and Matrix Isolation ESR Study

Abstract While examining PFPE (perfluoropolyether)-based disk lubricants, extra lability was suspected for a hydrogen-bonded pair of hydroxy end-groups in the presence of a nucleophile (electron donor). Plausible reaction sequences upon electron capture of hydrogen-bonded methanol dimer, hydrogen-bonded ethanol dimer, and 1,2-propanediol were first examined by a molecular dynamics method based on the potential given by a semiempirical SCF molecular orbital calculation, and subsequently by matrix isolation ESR spectroscopy. In the latter experimental study, alcohol dimer anions were generated by co-trapping Na atoms and alcohol molecules in argon matrices and inducing electron transfer by photo-irradiation. In the cases of methanol and ethanol dimers, the molecular dynamics study predicted that on capture of an electron, the hydroxy hydrogen of the acceptor side would cleave as an atom, and then abstract a hydrogen atom from the nearest carbon of the proton donating alcohol. For 1,2-propanediol anion, the molecular dynamics study predicted C1–C2 bond scission followed by abstraction of the C2 hydroxy hydrogen by the C1 radical fragment. The matrix isolation ESR study revealed generation of radicals upon photo-irradiation when the alcohol concentration was sufficiently high to warrant the presence of dimers. The spectral patterns thus observed were totally consistent with the radical products predicted by the molecular dynamics calculations.

Insertion of the Al Atom into Alkyl Ethers: Semiempirical SCF MO and Matrix Isolation ESR Study

The insertion process of the Al atom into trimethylene oxide (TMO) and that into dimethyl ether (DME) were examined by a semiempirical SCF molecular orbital method (AM1) and by matrix isolation ESR spectroscopy. The MO study revealed the three step process: (1) an approach of the Al atom toward the ethereal oxygen along the C2v axis of the molecule driven by a favorable overlap between the aluminum SOMO (the 3pz orbital) and the LUMO of the molecule of A1 symmetry, (2) formation of the Al−O dative bond with concurrent scission of one of the C−O bonds, and (3) completion of the process by the three-electron bonding scheme between the unpaired electron on the alkyl terminus and the lone pair electrons on Al. The MO study also revealed that the process would be spontaneous for the Al/TMO system, but for the Al/DME system, there existed a barrier of ∼8 kcal/mol for the onset of the methyl group cleavage from the dative complex Al:O(CH3)2. The MO study also revealed that, in the Al/DME case, the insertion product CH3−Al−O−CH3 of the cis conformation was initially formed but it might readily convert to the more stable trans form. The ESR study revealed that the Al atom insertion into TMO occurred spontaneously. Well-resolved spectra of the expected insertion radical were observed. In the case of DME, the ESR study revealed the presence of both the intermediate dative complex and the final insertion product in the as-prepared matrix. When the matrix was subsequently irradiated with red light (λ = 700 ± 50 nm), the dative complex resumed the process and converted to the insertion product. The insertion radicals of both the cis and trans forms were observed in the argon system, but only the more stable trans radical was observed in the neon system.

Aliphatic Ketone Anion Radicals: A Matrix Isolation ESR Study

Aliphatic Ketone Anion Radicals: A Matrix Isolation ESR Study

Succinimidyl and phthalimidyl radicals: matrix isolation ESR study

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSuccinimidyl and phthalimidyl radicals: matrix isolation ESR studyPaul H. KasaiCite this: J. Am. Chem. Soc. 1992, 114, 8, 2875–2880Publication Date (Print):April 1, 1992Publication History Published online1 May 2002Published inissue 1 April 1992https://doi.org/10.1021/ja00034a018RIGHTS & PERMISSIONSArticle Views350Altmetric-Citations16LEARN 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 (662 KB) Get e-Alerts Get e-Alerts

Radical cation rearrangement of 4-vinylcyclohexene to bicyclo[3.2.1]oct-2-ene: a matrix-isolation ESR study

Radical cation rearrangement of 4-vinylcyclohexene to bicyclo[3.2.1]oct-2-ene: a matrix-isolation ESR study

Dissociative electron capture of sulfones and sulfonates: matrix isolation ESR study

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDissociative electron capture of sulfones and sulfonates: matrix isolation ESR studyPaul H. KasaiCite this: J. Am. Chem. Soc. 1991, 113, 9, 3317–3321Publication Date (Print):April 1, 1991Publication History Published online1 May 2002Published inissue 1 April 1991https://doi.org/10.1021/ja00009a015RIGHTS & PERMISSIONSArticle Views97Altmetric-Citations8LEARN 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 (535 KB) Get e-Alerts Get e-Alerts

Dissociative electron capture of propylene oxide: matrix isolation ESR study

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDissociative electron capture of propylene oxide: matrix isolation ESR studyPaul H. KasaiCite this: J. Am. Chem. Soc. 1991, 113, 5, 1539–1544Publication Date (Print):February 1, 1991Publication History Published online1 May 2002Published inissue 1 February 1991https://doi.org/10.1021/ja00005a012RIGHTS & PERMISSIONSArticle Views69Altmetric-Citations5LEARN 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 (586 KB) Get e-Alerts Get e-Alerts

Na0(epoxy)1-3 complexes and dissociative electron capture of the epoxy system: matrix isolation ESR study

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTNa0(epoxy)1-3 complexes and dissociative electron capture of the epoxy system: matrix isolation ESR studyPaul H. KasaiCite this: J. Am. Chem. Soc. 1990, 112, 11, 4313–4320Publication Date (Print):May 1, 1990Publication History Published online1 May 2002Published inissue 1 May 1990https://doi.org/10.1021/ja00167a030RIGHTS & PERMISSIONSArticle Views83Altmetric-Citations20LEARN 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 (811 KB) Get e-Alerts Get e-Alerts

Indium dicarbonyl: matrix isolation ESR and IR study

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTIndium dicarbonyl: matrix isolation ESR and IR studyWilliam G. Hatton, Nigel P. Hacker, and Paul H. KasaiCite this: J. Phys. Chem. 1989, 93, 4, 1328–1332Publication Date (Print):February 1, 1989Publication History Published online1 May 2002Published inissue 1 February 1989https://doi.org/10.1021/j100341a031RIGHTS & PERMISSIONSArticle Views64Altmetric-Citations18LEARN 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 (608 KB) Get e-Alerts

Gallium-ethylene complex: matrix isolation ESR study

The Ga atom-ethylene complex, Ga(C/sub 2/H/sub 4/), was generated in argon matrices and its ESR spectrum was examined. The spectral analysis revealed that the complex has a side-on structure and is held by a dative interaction between the semifilled Ga 4p/sub x/ orbital and the antibonding ..pi../sub y/* orbital of ethylene. The g tensor and the /sup 69/Ga hyperfine tensor were determined as follows: g/sub x/ = 2.0031 (6), g/sub y/ = 1.9745 (6), g/sub z/ = 2.0235 (6), A/sub x/ = 92 (1) G, A/sub y/ = -40 (1) G, and A/sub z/ = -30 (1) G.

Perfluorovinyl radical, CF2=CF: matrix isolation ESR and molecular orbital study

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPerfluorovinyl radical, CF2=CF: matrix isolation ESR and molecular orbital studyPaul H. KasaiCite this: J. Phys. Chem. 1986, 90, 21, 5034–5037Publication Date (Print):October 1, 1986Publication History Published online1 May 2002Published inissue 1 October 1986https://doi.org/10.1021/j100412a032RIGHTS & PERMISSIONSArticle Views37Altmetric-Citations7LEARN 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 (516 KB) Get e-Alerts

Copper, silver, and gold atom-molecular oxygen complexes: matrix isolation ESR study

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTCopper, silver, and gold atom-molecular oxygen complexes: matrix isolation ESR studyPaul H. Kasai and Paul M. JonesCite this: J. Phys. Chem. 1986, 90, 18, 4239–4245Publication Date (Print):August 1, 1986Publication History Published online1 May 2002Published inissue 1 August 1986https://doi.org/10.1021/j100409a005RIGHTS & PERMISSIONSArticle Views224Altmetric-Citations51LEARN 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 (763 KB) Get e-Alerts

ChemInform Abstract: Gold Carbonyl, Au(CO): Matrix Isolation ESR Study (generated in argon matrices by cocondensation of gold atoms and CO molecules).

Chemischer InformationsdienstVolume 17, Issue 7 Physical Organic Chemistry ChemInform Abstract: Gold Carbonyl, Au(CO): Matrix Isolation ESR Study (generated in argon matrices by cocondensation of gold atoms and CO molecules). P. H. KASAI, P. H. KASAISearch for more papers by this authorP. M. JONES, P. M. JONESSearch for more papers by this author P. H. KASAI, P. H. KASAISearch for more papers by this authorP. M. JONES, P. M. JONESSearch for more papers by this author First published: February 18, 1986 https://doi.org/10.1002/chin.198607047AboutPDF 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. Volume17, Issue7February 18, 1986 RelatedInformation

ChemInform Abstract: ALUMINUM DICARBONYL: MATRIX ISOLATION ESR STUDY

Chemischer InformationsdienstVolume 16, Issue 17 Physical Organic Chemistry ChemInform Abstract: ALUMINUM DICARBONYL: MATRIX ISOLATION ESR STUDY P. H. KASAI, P. H. KASAISearch for more papers by this authorP. M. JONES, P. M. JONESSearch for more papers by this author P. H. KASAI, P. H. KASAISearch for more papers by this authorP. M. JONES, P. M. JONESSearch for more papers by this author First published: April 30, 1985 https://doi.org/10.1002/chin.198517048Read 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 onFacebookTwitterLinkedInRedditWechat No abstract is available for this article. Volume16, Issue17April 30, 1985 RelatedInformation

Silver carbonyls, Ag(CO) and Ag(CO)3: matrix isolation ESR study

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSilver carbonyls, Ag(CO) and Ag(CO)3: matrix isolation ESR studyPaul H. Kasai and Paul M. JonesCite this: J. Phys. Chem. 1985, 89, 7, 1147–1151Publication Date (Print):March 1, 1985Publication History Published online1 May 2002Published inissue 1 March 1985https://doi.org/10.1021/j100253a019RIGHTS & PERMISSIONSArticle Views102Altmetric-Citations23LEARN 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 (584 KB) Get e-Alerts

Copper carbonyls, Cu(CO) and Cu(CO)3: matrix isolation ESR study

Determination des facteurs g et des tenseurs de couplage hyperfin des noyaux Cu et 13 C. Interaction quadripolaire du noyau Cu dans le cas de Cu(CO) 3 . Liaison dative σ entre doublet libre de CO et orbitale (s) sp hybride (s) vacante (s) de Cu et retrodonation π de Cu vers les orbitales π* vacantes de CO

Propylene complexes of copper, silver, and gold atoms: matrix isolation ESR study

Propylene complexes of copper, silver, and gold atoms: matrix isolation ESR study