On the spectroscopy of phosphaalkynes: Millimeter- and submillimeter wave study of C2H5CP

Abstract

Ethyl phosphaethyne, C2H5CP, has been characterized spectroscopically in the gas phase for the first time, employing millimeter- and submillimeter-wave spectroscopy in the frequency regime from 75 to 760 GHz. Spectroscopic detection and analysis was guided by high-level quantum-chemical calculations of molecular structures and force fields performed at the coupled-cluster singles and doubles level extended by a perturbative correction for the contribution from triple excitations, CCSD(T), in combination with large basis sets. Besides the parent isotopologue, the singly substituted 13C species were observed in natural abundance up to frequencies as high as 500 GHz. Despite the comparably low astronomical abundance of phosphorus, phosphaalkynes, R--CP, such as C2H5CP are promising candidates for future radio astronomical detection.

References in corpus (7)

• Detection of Two Interstellar Polycyclic Aromatic Hydrocarbons via Spectral Matched Filtering
• Discovery of Interstellar 2-Cyanoindene (2-C${}_9$H${}_7$CN) in GOTHAM Observations of TMC-1
• New molecules in IRC+10216: confirmation of C${}_5$S and tentative identification of MgCCH, NCCP, and SiH${}_3$CN
• Interstellar nitrile anions: Detection of C3N- and C5N- in TMC-1
• The magnesium paradigm in IRC+10216: Discovery of MgC${}_4$H${}^{+}$, MgC${}_3$N${}^{+}$, MgC${}_6$H${}^{+}$, and MgC${}_5$N${}^{+}$
• LLWP -- A new Loomis-Wood Software at the Example of Acetone-13C1
• Millimeter-millimeter-wave double-modulation double-resonance spectroscopy

Cited by in corpus (3)

• Reexploring Molecular Complexity with ALMA: Insights into chemical differentiation from the molecular composition of hot cores in Sgr B2(N2)
• Extending the rotational spectrum of cyclopentadiene towards higher frequencies and vibrational states
• Leveraging MMW-MMW Double Resonance Spectroscopy to Understand the Pure Rotational Spectrum of Glycidaldehyde and 17 of Its Vibrationally Excited States