Conformational analysis of dichloromethyl formate by the combined use of infrared and matrix-infrared spectroscopy and ab initio calculations
- Author
- DAHLQVIST, Martti1 ; HOTOKKA, Matti2 ; RÄSÄNEN, Markku3
[1] Department of Organic Chemistry, University of Turku, Vatselankatu 2, 20014 Turku, Finland
[2] Department of Physical Chemistry, Åbo Akademi, 20500 Turku, Finland
[3] Laboratory of Physical Chemistry, University of Helsinki, P.O. Box 55, 00014, Finland - Source
PCCP. Physical chemistry chemical physics (Print). 2003, Vol 5, Num 18, pp 3864-3868, 5 p ; ref : 18 ref
- Publisher
- Royal Society of Chemistry, Cambridge
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Analyse conformationnelle Angle liaison Calcul ab initio Chlore composé organique Corrélation électronique Ester Etude expérimentale Etude théorique Isolement matrice Longueur liaison Mode vibration Partition Moller Plesset Phase gazeuse Phase liquide Phase solide Spectre IR Structure moléculaire Surface énergie potentielle 3315B Formique acide ester dichlorométhyle
- Keyword (en)
- Conformational analysis Bond angle Ab initio calculations Organic chlorine compounds Electron correlations Esters Experimental study Theoretical study Matrix isolation Bond lengths Vibrational modes Moller Plesset partition Gas phase Liquid phase Solid phase Infrared spectra Molecular structure Potential energy surfaces
- Keyword (es)
- Análisis conformacional Partición Moller Plesset
- 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 / 001B30C15 Properties of molecules and molecular ions / 001B30C15B General molecular conformation and symmetry; stereochemistry
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30C Molecular properties and interactions with photons / 001B30C20 Molecular spectra / 001B30C20E Infrared spectra
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 15124843
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
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DOI
10.1039/B306275A 
https://dx.doi.org/10.1039/B306275A
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