This database contains the rotational spectral lines observed and reported in the open literature for 91 hydrocarbon molecules through September 1987. The isotopic molecular species, assigned quantum numbers, observed frequency, estimated measurement uncertainty and reference are given for each transition reported. In addition to correcting a number of misprints and errors in the literature cited, the spectral lines for many normal isotopic species have been refit to produce a comprehensive and consistent analysis of all the data extracted from various literature sources. The derived molecular properties, such as rotational and centrifugal distortion constants, hyperfine structure constants, electric dipole moments, and rotational g-factors are listed.

This database contains the rotational spectral lines observed and reported in the open literature for 121 diatomic molecules through July 2002. The isotopic molecular species, assigned quantum numbers, observed frequency, estimated measurement uncertainty, and reference are given for each transition reported. Derived molecular properties, such as rotational constants, hyperfine structure constants, electric dipole moments, rotational g-factors and internuclear distances, are listed with one standard deviation uncertainties for all species.

This database contains critically evaluated transition frequencies for the molecular transitions detected in interstellar and circumstellar clouds reported in the literature through mid-2008. The tabulated transition frequencies are recommended for reference in future astronomical observations in the centimeter and millimeter wavelength regions. The transition frequencies have been selected through a critical examination and analysis of the laboratory spectral data obtained from the literature. The information tabulated includes the species identity, transition frequency, uncertainty, and quantum state labels. For convenience, representative line antenna temperatures are listed for a typical astronomical source for each transition, and the references are cited for the laboratory and astronomical literature that have been employed. 2009 Revision

This database contains critically evaluated transition frequencies for the molecular transitions detected in interstellar and circumstellar clouds reported in the literature through mid-2008. The tabulated transition frequencies are recommended for reference in future astronomical observations in the centimeter and millimeter wavelength regions. The transition frequencies have been selected through a critical examination and analysis of the laboratory spectral data obtained from the literature. The information tabulated includes the species identity, transition frequency, uncertainty, and quantum state labels. For convenience, representative line antenna temperatures are listed for a typical astronomical source for each transition, and the references are cited for the laboratory and astronomical literature that have been employed. 2009 Revision

Wavenumber Calibration Tables from Heterodyne Frequency Measurements contains tables of gas-phase infrared transition wavenumbers and their spectroscopic assignments that are appropriate for calibrating high-spectral-resolution infrared spectrometers. The calibration lines for carbonyl sulfide (OCS), nitrous oxide (N2O), nitric oxide (NO), carbonyl sulfide (CS2), and carbon monoxide (CO) collectively extend from approximately 486 wavenumber (cm-1) to 4355 wavenumbers (cm-1) in the infrared. The bibliography and spectral atlas are current through November 1994. The bibliography covers a range of high-resolution spectroscopic studies on the calibration molecules listed above, including pressure broadening studies.

Wavenumber Calibration Tables from Heterodyne Frequency Measurements contains tables of gas-phase infrared transition wavenumbers and their spectroscopic assignments that are appropriate for calibrating high-spectral-resolution infrared spectrometers. The calibration lines for carbonyl sulfide (OCS), nitrous oxide (N2O), nitric oxide (NO), carbonyl sulfide (CS2), and carbon monoxide (CO) collectively extend from approximately 486 wavenumber (cm-1) to 4355 wavenumbers (cm-1) in the infrared. The bibliography and spectral atlas are current through November 1994. The bibliography covers a range of high-resolution spectroscopic studies on the calibration molecules listed above, including pressure broadening studies.

These data files contain the data for the measured transition frequencies shown in Table I and the traces in Figure 3 of the publication "Frequency-comb spectroscopy on pure quantum states of a single molecular ion," accessible at https://arxiv.org/abs/1911.12808. In this publication we use generally applicable quantum-logic techniques to prepare a trapped molecular ion in a single quantum state, drive terahertz rotational transitions with an optical frequency comb, and read out the molecular state non-destructively, leaving the molecule ready for further manipulation. One file contains data For Table 1. In the measurement of rotational transition frequencies, the intensities of the comb beams are varied to characterize the effect of AC Stark shift, while the intensity ratio between the sigma and pi polarized beams are kept at close to 2. The average intensity of the sigma-polarized comb beam is quantified by measuring the resultant Stark shift, fSS_sigma, on the 729 nm transition of the Ca+ ion, with the Ca+ ion where the CaH+ ion would be during rotational spectroscopy experiments. The other file contains data for Figure 3, (a) Spectra for the J = 4 to 2 transition: 40CaH+ is prepared in J = 2, followed by a pulse train from the comb Raman beams probing the J = 2 to J = 4 transition. After the probe pulse train, projective measurements of both initial and final states are performed and the state occupation probability is determined. The probe time is ~1.6 ms. The frequency shows the offset of the Raman difference frequency from the resonant value. (b) Rabi flopping on the J = 4 to J = 2 transition: Starting in J = 4, with the comb Raman pulse detuning set to resonance, the state of the 40CaH+ ion is driven coherently to J = 2 by a pulse train of variable duration from the comb Raman beams. The center wavelength of the frequency comb was ~800 nm for these spectra and Rabi flopping traces. The error bars stand for ±1 standard deviation.

Chemical compound data from PubChem database. IUPAC Name: 7,13,17-trimethyltritriacontane. Molecular Formula: C36H74. Molecular Weight: 507.0. This dataset contains comprehensive chemical information including structural data, physical properties, and biological activities. Useful for drug discovery, chemical research, and educational purposes.

Chemical compound data from PubChem database. IUPAC Name: 7,13,17-trimethyltritriacontane. Molecular Formula: C36H74. Molecular Weight: 507.0. This dataset contains comprehensive chemical information including structural data, physical properties, and biological activities. Useful for drug discovery, chemical research, and educational purposes.

Chemical compound data from PubChem database. IUPAC Name: 5,9,23-trimethyltritriacontane. Molecular Formula: C36H74. Molecular Weight: 507.0. This dataset contains comprehensive chemical information including structural data, physical properties, and biological activities. Useful for drug discovery, chemical research, and educational purposes.