Laser ablated boron atom reaction with carbon disulfide: infrared spectrum of SBCS in solid argon and ab initio geometry and frequency calculations for possible products
| Autor: | Randall Dean Davy, Parviz Hassanzadeh, Lester Andrews |
|---|---|
| Rok vydání: | 1993 |
| Předmět: |
chemistry.chemical_classification
Argon General Engineering Ab initio Analytical chemistry Matrix isolation chemistry.chemical_element Molecular geometry chemistry Ab initio quantum chemistry methods Computational chemistry Kinetic isotope effect Physical and Theoretical Chemistry Boron Inorganic compound |
| Zdroj: | The Journal of Physical Chemistry. 97:7412-7416 |
| ISSN: | 1541-5740 0022-3654 |
| DOI: | 10.1021/j100131a006 |
| Popis: | Codeposition of laser ablated boron atoms with a mixture of carbon disulfide in argon produced SBCS with absorption bands at 1201.9 and 1226.8 cm -1 for 11 B and 10 B, respectively. Carbon-13 substitution shifted these bands to 1188.2 and 1210.3 cm -1 . Sulfur-34 isotopic counterparts were observed at 1192.7 and 1217.6 cm -1 and scrambled isotopic sulfur revealed intermediate new bands at 1197.2, 1222.8, and 1221.8 cm -1 , respectively. Ab initio calculations of isotopic frequencies confirmed the identification of the SBCS insertion product |
| Databáze: | OpenAIRE |
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