Microwave spectrum and barrier to internal rotation of 1-chloro-2-butyne |
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| Affiliation: | 1. Research & Development, Tata Steel Limited, Jamshedpur 831001, India;2. Saha Institute of Nuclear Physics, Kolkata 700064, India;3. Department of Metallurgical Engineering, Indian Institute of Technology, Banaras Hindu University, Varanasi, 221005, India;1. Department of Physics, Thiagarajar College, Madurai-09, Tamil Nadu, India;2. School of Physical Sciences, Swami Ramanand Teerth Marathwada University, Nanded 431606, Maharashtra, India;3. Lal Bahadur Shastri Mahavidyalaya, Dharmabad Dist., Nanded, Maharashtra, India;4. Department of Chemistry, Thiagarajar College, Madurai-09, Tamilnadu, India;1. Centre d''Etude et de Recherche de Djibouti, Institut de Recherche Médicinale, IRM-CERD, Route de l''Aéroport, Djibouti;2. Equipe "Matériaux et Surfaces Fonctionnels", Institut UTINAM UMR CNRS 6213, Université Bourgogne Franche-Comté, 16 Route de Gray, Besançon F-25030, France;3. Laboratory of Analytical and Molecular Chemistry, Faculty of Sciences Ben M''Sik, Hassan II University of Casablanca, B.P. 7955, Casablanca, Morocco;5. Department of Chemistry, Faculty of Science, King Abdulaziz University, Jeddah, Saudi Arabia;6. Department of Chemistry, Faculty of Science, Port Said University, Port Said, 42521, Egypt;1. Department of Physics, Lal Bahadur Shastri Mahavidyalaya, Dharmabad, Dist. Nanded 431809, MS, India;2. Department of Electronics, Lal Bahadur Shastri Mahavidyalaya, Dharmabad, Dist. Nanded 431809, MS, India;3. School of Physical Sciences, S.R.T.M. University, Nanded 431606, MS, India |
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| Abstract: | Rotational transitions of the μa and μb type have been identified with microwave-microwave double resonance measurements for 1-chloro-2-butyne in the ground vibrational state. In the first excited state of the methyl torsion only μa-type transitions have been identified. The A-type transitions of the ground vibrational state can be described perfectly by the rigid rotor approximation with centrifugal corrections. Using the internal axis method the barrier to internal rotation was determined from the A,E splittings: V3 = 10.05 ± 0.09 cm−1. A model which allowed for geometry relaxation upon internal rotation was used to fit one set of parameters to the transition frequencies of both ground state and first excited torsional state. The sixfold contribution to the barrier was found to be negligible: V6 = −0.4 ± 0.3 cm−1. |
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