Gas-phase experimental and theoretical near edge X-ray absorption fine structure study of 2-mercaptobenzothiazole (Articolo in rivista)

Type

• Prodotto della ricerca (Classe)
• Articolo in rivista (Classe)

Label

• Gas-phase experimental and theoretical near edge X-ray absorption fine structure study of 2-mercaptobenzothiazole (Articolo in rivista) (literal)

Anno

• 2001-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1021/jp010865e (literal)

Alternative label

• G. Contini, V. Carravetta, V. Di-Castro, S. Stranges, R. Richter and M. Alagia (2001)
  Gas-phase experimental and theoretical near edge X-ray absorption fine structure study of 2-mercaptobenzothiazole
  in The journal of physical chemistry. A
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• G. Contini, V. Carravetta, V. Di-Castro, S. Stranges, R. Richter and M. Alagia (literal)

Pagina inizio

• 7308 (literal)

Pagina fine

• 7314 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 105 (literal)

Rivista

• ?The ?journal of physical chemistry. A (Rivista)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• CNR, Inst Mineral Proc, I-00138 Rome, Italy CNR, ICQEM, I-56010 Pisa, Italy Univ Rome La Sapienza, Dipartimento Chim, I-00185 Rome, Italy Unita INFM, I-00185 Rome, Italy Sincrotrone Trieste, I-34012 Trieste, Italy [Show the Organization-Enhanced name(s)] [ 6 ] INFM, TASC, I-34012 Trieste, Italy (literal)

Titolo

• Gas-phase experimental and theoretical near edge X-ray absorption fine structure study of 2-mercaptobenzothiazole (literal)

Abstract

• Near edge X-ray absorption fine structure (NEXAFS) spectra of 2-mercaptobenzothiazole have been investigated from experimental and theoretical points of view. High-resolution NEXAFS spectra (total-ion-yield) have been obtained in the gas phase near the carbon and nitrogen K-edges, and sulfur L-2,L-3-edges using synchrotron radiation. The experimental data are interpreted with the help of static-exchange (STEX) ab initio calculations for the different edges and compared with previously reported experimental and theoretical spectra of a similar molecule, the 2-mercaptobenzoxazole. The good agreement between experiment and theory allows for a detailed discussion and assignment of the various features observed. A vibrational progression at the C K-edge is also identified in the highly resolved experimental spectrum. (literal)

Prodotto di

• Dinamica dei processi atomici e molecolari (MD.P03.029.001) (Modulo)
• Istituto per i processi chimico-fisici (IPCF) (Istituto)
• Institute of structure of matter (ISM) (Istituto)

Autore CNR

• GIORGIO CONTINI (Unità di personale interno)
• VINCENZO CARRAVETTA (Unità di personale interno)
• MICHELE ALAGIA (Persona)

Insieme di parole chiave

• Keywords of "Gas-phase experimental and theoretical near edge X-ray absorption fine structure study of 2-mercaptobenzothiazole" (Insieme di parole chiave)

Incoming links:

Prodotto

• Istituto per i processi chimico-fisici (IPCF) (Istituto)
• Institute of structure of matter (ISM) (Istituto)
• Dinamica dei processi atomici e molecolari (MD.P03.029.001) (Modulo)

Autore CNR di

• GIORGIO CONTINI (Unità di personale interno)
• VINCENZO CARRAVETTA (Unità di personale interno)
• MICHELE ALAGIA (Persona)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• ?The ?journal of physical chemistry. A (Rivista)

Insieme di parole chiave di

• Keywords of "Gas-phase experimental and theoretical near edge X-ray absorption fine structure study of 2-mercaptobenzothiazole" (Insieme di parole chiave)