Structure, polarized micro-Raman and FT-IR spectra, and ab initio calculations of 1,2-dicyanobenzene
- Author
- LOPEZ NAVARRETE, J. T1 ; QUIRANTE, J. J1 ; ARANDA, M. A. G; HERNANDEZ, V1 ; RAMIREZ, F. J1
[1] Univ. Málaga, Fac. cienc., dep. química física, 29071 Málaga, Spain - Source
Journal of physical chemistry (1952). 1993, Vol 97, Num 41, pp 10561-10569
- CODEN
- JPCHAX
- ISSN
- 0022-3654
- Scientific domain
- General chemistry, physical chemistry; Metallurgy, welding; Atomic molecular physics
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Angle liaison Calcul MNDO Calcul ab initio Composé benzénique Diffraction RX Etat vibrationnel Etude expérimentale Etude théorique Longueur liaison Méthode champ force Réseau orthorhombique Spectre IR Spectre Raman Structure cristalline Structure moléculaire Benzène-«1,2»-dicarbonitrile Température transition vitreuse
- Keyword (en)
- Bond angle MNDO calculations Ab initio calculations Benzenic compound X-ray diffraction Vibrational states Experimental study Theoretical study Bond lengths Force field method Orthorhombic lattices Infrared spectra Raman spectra Crystal structure Molecular structure Glass transition temperature
- Keyword (es)
- Compuesto bencénico Método campo fuerza Temperatura transición vítrosa
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A15 Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) / 001B30A15A Ab initio calculations
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30C Molecular properties and interactions with photons / 001B30C20 Molecular spectra / 001B30C20F Raman and rayleigh spectra (including optical scattering)
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 3848590
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
Access to the document
Install on your browser
DOI
10.1021/j100143a009 
https://dx.doi.org/10.1021/j100143a009
"O:13:\"PanistOpenUrl\":36:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000idc\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:19:\"10.1021\/j100143a009\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:100:\"Structure, polarized micro-Raman and FT-IR spectra, and ab initio calculations of 1,2-dicyanobenzene\";s:9:\"\u0000*\u0000jtitle\";s:36:\"Journal of physical chemistry (1952)\";s:9:\"\u0000*\u0000stitle\";s:21:\"J. phys. chem. (1952)\";s:7:\"\u0000*\u0000date\";s:4:\"1993\";s:9:\"\u0000*\u0000volume\";s:2:\"97\";s:8:\"\u0000*\u0000issue\";s:2:\"41\";s:8:\"\u0000*\u0000spage\";s:5:\"10561\";s:8:\"\u0000*\u0000epage\";s:5:\"10569\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0022-3654\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:15:\"LOPEZ NAVARRETE\";s:10:\"\u0000*\u0000aufirst\";s:4:\"J. T\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:4:{i:0;s:14:\"QUIRANTE, J. J\";i:1;s:15:\"ARANDA, M. A. G\";i:2;s:12:\"HERNANDEZ, V\";i:3;s:13:\"RAMIREZ, F. J\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"JPCHAX\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:100:\"Structure, polarized micro-Raman and FT-IR spectra, and ab initio calculations of 1,2-dicyanobenzene\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Panist access
"O:12:\"IstexOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:19:\"10.1021\/j100143a009\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:100:\"Structure, polarized micro-Raman and FT-IR spectra, and ab initio calculations of 1,2-dicyanobenzene\";s:9:\"\u0000*\u0000jtitle\";s:36:\"Journal of physical chemistry (1952)\";s:9:\"\u0000*\u0000stitle\";s:21:\"J. phys. chem. (1952)\";s:7:\"\u0000*\u0000date\";s:4:\"1993\";s:9:\"\u0000*\u0000volume\";s:2:\"97\";s:8:\"\u0000*\u0000issue\";s:2:\"41\";s:8:\"\u0000*\u0000spage\";s:5:\"10561\";s:8:\"\u0000*\u0000epage\";s:5:\"10569\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0022-3654\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:15:\"LOPEZ NAVARRETE\";s:10:\"\u0000*\u0000aufirst\";s:4:\"J. T\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:4:{i:0;s:14:\"QUIRANTE, J. J\";i:1;s:15:\"ARANDA, M. A. G\";i:2;s:12:\"HERNANDEZ, V\";i:3;s:13:\"RAMIREZ, F. J\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"JPCHAX\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:100:\"Structure, polarized micro-Raman and FT-IR spectra, and ab initio calculations of 1,2-dicyanobenzene\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Istex access
"O:16:\"UnpaywallOpenUrl\":35:{s:8:\"\u0000*\u0000email\";s:27:\"assistance-portail@inist.fr\";s:6:\"\u0000*\u0000fmt\";N;s:6:\"\u0000*\u0000doi\";s:19:\"10.1021\/j100143a009\";s:6:\"\u0000*\u0000pii\";N;s:7:\"\u0000*\u0000pmid\";N;s:9:\"\u0000*\u0000atitle\";N;s:9:\"\u0000*\u0000jtitle\";N;s:9:\"\u0000*\u0000stitle\";N;s:7:\"\u0000*\u0000date\";N;s:9:\"\u0000*\u0000volume\";N;s:8:\"\u0000*\u0000issue\";N;s:8:\"\u0000*\u0000spage\";N;s:8:\"\u0000*\u0000epage\";N;s:8:\"\u0000*\u0000pages\";N;s:7:\"\u0000*\u0000issn\";N;s:8:\"\u0000*\u0000eissn\";N;s:9:\"\u0000*\u0000aulast\";N;s:10:\"\u0000*\u0000aufirst\";N;s:9:\"\u0000*\u0000auinit\";N;s:10:\"\u0000*\u0000auinitm\";N;s:5:\"\u0000*\u0000au\";N;s:9:\"\u0000*\u0000aucorp\";N;s:7:\"\u0000*\u0000isbn\";N;s:8:\"\u0000*\u0000coden\";N;s:8:\"\u0000*\u0000genre\";N;s:7:\"\u0000*\u0000part\";N;s:9:\"\u0000*\u0000btitle\";N;s:8:\"\u0000*\u0000title\";N;s:8:\"\u0000*\u0000place\";N;s:6:\"\u0000*\u0000pub\";N;s:10:\"\u0000*\u0000edition\";N;s:9:\"\u0000*\u0000tpages\";N;s:9:\"\u0000*\u0000series\";N;s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";N;}"
Unpaywall access
"O:16:\"EuropePMCOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:19:\"10.1021\/j100143a009\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:100:\"Structure, polarized micro-Raman and FT-IR spectra, and ab initio calculations of 1,2-dicyanobenzene\";s:9:\"\u0000*\u0000jtitle\";s:36:\"Journal of physical chemistry (1952)\";s:9:\"\u0000*\u0000stitle\";s:21:\"J. phys. chem. (1952)\";s:7:\"\u0000*\u0000date\";s:4:\"1993\";s:9:\"\u0000*\u0000volume\";s:2:\"97\";s:8:\"\u0000*\u0000issue\";s:2:\"41\";s:8:\"\u0000*\u0000spage\";s:5:\"10561\";s:8:\"\u0000*\u0000epage\";s:5:\"10569\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0022-3654\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:15:\"LOPEZ NAVARRETE\";s:10:\"\u0000*\u0000aufirst\";s:4:\"J. T\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:4:{i:0;s:14:\"QUIRANTE, J. J\";i:1;s:15:\"ARANDA, M. A. G\";i:2;s:12:\"HERNANDEZ, V\";i:3;s:13:\"RAMIREZ, F. J\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"JPCHAX\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:100:\"Structure, polarized micro-Raman and FT-IR spectra, and ab initio calculations of 1,2-dicyanobenzene\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Europe PubMed Central access
"O:12:\"ArXivOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:19:\"10.1021\/j100143a009\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:100:\"Structure, polarized micro-Raman and FT-IR spectra, and ab initio calculations of 1,2-dicyanobenzene\";s:9:\"\u0000*\u0000jtitle\";s:36:\"Journal of physical chemistry (1952)\";s:9:\"\u0000*\u0000stitle\";s:21:\"J. phys. chem. (1952)\";s:7:\"\u0000*\u0000date\";s:4:\"1993\";s:9:\"\u0000*\u0000volume\";s:2:\"97\";s:8:\"\u0000*\u0000issue\";s:2:\"41\";s:8:\"\u0000*\u0000spage\";s:5:\"10561\";s:8:\"\u0000*\u0000epage\";s:5:\"10569\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0022-3654\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:15:\"LOPEZ NAVARRETE\";s:10:\"\u0000*\u0000aufirst\";s:4:\"J. T\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:4:{i:0;s:14:\"QUIRANTE, J. J\";i:1;s:15:\"ARANDA, M. A. G\";i:2;s:12:\"HERNANDEZ, V\";i:3;s:13:\"RAMIREZ, F. J\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"JPCHAX\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:100:\"Structure, polarized micro-Raman and FT-IR spectra, and ab initio calculations of 1,2-dicyanobenzene\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
arXiv access
