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Experimental energy levels of ¹²C¹⁴N through marvel analysis.

ABSTRACT: The cyano radical (CN) is a key molecule across many different factions of astronomy and chemistry. Accurate, empirical rovibronic energy levels with uncertainties are determined for eight doublet states of CN using the marvel (Measured Active Rotational-Vibrational Energy Levels) algorithm. 40 333 transitions were validated from 22 different published sources to generate 8083 spin-rovibronic energy levels. The empirical energy levels obtained from the marvel analysis are compared to current energy levels from the mollist line list. The mollist transition frequencies are updated with marvel energy level data which brings the frequencies obtained through experimental data up to 77.3 per cent from the original 11.3 per cent, with 92.6 per cent of the transitions with intensities over 10^-23 cm molecule^-1 at 1000 K now known from experimental data. At 2000 K, 100.0 per cent of the partition function is recovered using only marvel energy levels, while 98.2 per cent is still recovered at 5000 K.

SUBMITTER: Syme AM

PROVIDER: S-EPMC7545856 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature

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Experimental energy levels of <sup>12</sup>C<sup>14</sup>N through marvel analysis.

Syme Anna-Maree AM McKemmish Laura K LK

Monthly notices of the Royal Astronomical Society 20200912 1

The cyano radical (CN) is a key molecule across many different factions of astronomy and chemistry. Accurate, empirical rovibronic energy levels with uncertainties are determined for eight doublet states of CN using the marvel (Measured Active Rotational-Vibrational Energy Levels) algorithm. 40 333 transitions were validated from 22 different published sources to generate 8083 spin-rovibronic energy levels. The empirical energy levels obtained from the marvel analysis are compared to current ene ...[more]

PMID: 33071363

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Experimental energy levels of ¹²C¹⁴N through marvel analysis.

Publications

Experimental energy levels of <sup>12</sup>C<sup>14</sup>N through marvel analysis.

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Experimental energy levels of 12C14N through marvel analysis.

Publications

Experimental energy levels of <sup>12</sup>C<sup>14</sup>N through marvel analysis.

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OmicsDI is part of the ELIXIR infrastructure

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Experimental energy levels of ¹²C¹⁴N through marvel analysis.