Rotational spectra of deuterated acetylenes: DCCH, DCCH and DCCH |
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| Authors: | Gabriele Cazzoli Cristina Puzzarini Filippo Tamassia |
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| Institution: | a Dipartimento di Chimica “G. Ciamician”, Università di Bologna, Via Selmi 2, I-40126 Bologna, Italy
b Dipartimento di Chimica Fisica ed Inorganica, Università di Bologna, V.le Risorgimento 4, I-40136 Bologna, Italy |
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| Abstract: | Rotational spectra of deuterated acetylenes, DCCH, D13CCH and DC13CH, have been recorded in the millimeter- and submillimeter-wave frequency ranges. In spite of the small dipole moment (0.01001(15) D), 13C-containing species have been observed in natural abundance. The present investigation allowed us to provide improved ground state rotational and quartic centrifugal distortion constants for DCCH, D13CCH and DC13CH. The experimental investigation has also been supported by ab initio calculations. |
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| Keywords: | DCCH D13CCH DC13CH Rotational spectra Ab initio calculations Dipole moment Equilibrium structure |
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