new [CDMS classic documentation]

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====== What's new? ======

[[archive|And what is not quite so new anymore?]]

The database is described in
<alert type="info">
H. S. P. Müller, F. Schlöder, J. Stutzki, and G. Winnewisser, J. Mol. Struct. 742, 215–227 (2005)
</alert>
and in
<alert type="Info">
H. S. P. Müller, S. Thorwirth, D. A. Roth, and G. Winnewisser, Astronomy and Astrophysics 370, L49–L52 (2001).
</alert>
Please acknowledge use of the CDMS by citing these article. You are very welcome to state the web
address also. We recommend to cite the original sources of the data too, which are given in the
documentations, at least as far as this is feasible.
===== Recent Catalog Entries =====

[[archive#less_recent_catalog_entries|Earlier Catalog Entries]]

  * Feb. 2025: CHSCHO; //c//-C<sub>5</sub>H<sub>6</sub>; //c//-C<sub>5</sub>H<sub>6</sub>-<sup>13</sup>C<sub>1</sub>; //c//-C<sub>5</sub>H<sub>6</sub>-<sup>13</sup>C<sub>2</sub>; //c//-C<sub>5</sub>H<sub>6</sub>-<sup>13</sup>C<sub>5</sub>; H<sub>2</sub>CSO; vinyloxirane.
  * Jan. 2025: C<sub>3</sub>H<sup>+</sup>; //c//-H<sub>2</sub>C<sub>3</sub>S; //c//-H<sub>2</sub>C<sub>3</sub><sup>34</sup>S; DCCS; HCCSCN; //a//-NH<sub>2</sub>SH; //s//-NH<sub>2</sub>SH.
  * Dec. 2024: NCCO; NC<sub>3</sub>O; HC<sub>4</sub>NC; HNC<sub>5</sub>; HCCCHO; CH<sub>3</sub>O.
  * Nov. 2024: CH<sub>3</sub>C(O)NH<sub>2</sub>, //v//<sub>t</sub> = 0; CH<sub>3</sub>C(O)NH<sub>2</sub>, //v//<sub>t</sub> = 1; CH<sub>3</sub>C(O)NH<sub>2</sub>, //v//<sub>t</sub> = 2; CH<sub>3</sub>C(O)NH<sub>2</sub>, Δ(//v//<sub>t</sub>) > 0; NC<sub>3</sub><sup>34</sup>S; NC<sub>5</sub>S; NC<sub>7</sub>S; NC<sub>4</sub>S; NC<sub>6</sub>S.
  * Oct. 2024: CH<sub>3</sub>CH=C=CHCN; C<sub>2</sub>H<sub>5</sub>C<sub>3</sub>N; H<sub>2</sub>C=C=CHNC; NCCS; NC<sub>3</sub>S.
  * Sep. 2024: H<sub>2</sub>C(CCH)<sub>2</sub>; CH<sub>3</sub>N<sup>13</sup>C; <sup>13</sup>CH<sub>3</sub>NC; CH<sub>3</sub><sup>15</sup>NC; vinoxy; HOCS<sup>+</sup>; CH<sub>3</sub><sup>17</sup>OH, //v//<sub>t</sub> = 0; CH<sub>3</sub><sup>17</sup>OH, //v//<sub>t</sub> = 1; CH<sub>3</sub><sup>17</sup>OH, //v//<sub>t</sub> = 0 ↔ 1.
  * Aug. 2024: DC<sup>17</sup>O<sup>+</sup>; CH<sub>3</sub>OD, //v//<sub>t</sub> = 0; CH<sub>3</sub>OD, //v//<sub>t</sub> = 1; H<sub>2</sub>CCO //v//<sub>9</sub> = 1; H<sub>2</sub>CCO //v//<sub>6</sub> = 1; H<sub>2</sub>CCO //v//<sub>5</sub> = 1.
  * July 2024: HC<sup>18</sup>O<sup>+</sup>; HC<sup>17</sup>O<sup>+</sup>; DC<sup>18</sup>O<sup>+</sup>; corrected tags and minor mishaps for EtCP isotopologs.
  * June 2024: C<sub>2</sub>H<sub>5</sub>CP; C<sub>2</sub>H<sub>5</sub><sup>13</sup>CP; CH<sub>3</sub><sup>13</sup>CH<sub>2</sub>CP; <sup>13</sup>CH<sub>3</sub>CH<sub>2</sub>CP.
  * May 2024: 3-hydroxypropenal; MgCCH; CaCCH; <sup>25</sup>MgCCH; <sup>26</sup>MgCCH; Mg<sup>13</sup>CCH; MgC<sup>13</sup>CH; cyanothioketene.
  * Apr. 2024: HCCNC; DCCNC; HCCN<sup>13</sup>C; HC<sup>13</sup>CNC; H<sup>13</sup>CCNC; HCC<sup>15</sup>NC; DNC<sub>3</sub>; HNCC<sup>13</sup>C; HNC<sup>13</sup>CC; HN<sup>13</sup>CCC; //cis//-HSNO; //trans//-HSNO.
  * Feb. 2024: HNSiO; HPCO; HSiCCH; H<sub>2</sub>C<sub>3</sub>Si; H<sub>2</sub>C<sub>4</sub>Si; HCNH<sup>+</sup>.
  * Jan. 2024: HNSO; H<sub>2</sub>NC<sub>3</sub>N; E-2-butenenitrile; //syn//-3-butenenitrile; //gauche//-3-butenenitrile.

===== General Section and General Remarks =====

  * Nov. 2023: The information on the meaning of lower case characters as quantum numbers was misleading and has been rephrased. The term //g//<sub>I</sub> was missing in several "useful equations" because it was assumed to be 1 initially. 
  * Mar. 2019: The program of the VAMDC-CDMS was updated. The Classic or ascii-CDMS was moved to this server. Links have been corrected and should work, but a detailed check is pending. The coding of special characters has been adjusted.
  * Nov. 2009: added note in the link which explains the aggregate spin number.

===== Catalog Search Form =====

[[archive#catalog_search_form|Archive "Catalog Search Form"]]

  * Nov. 2021: A new group was defined: Other hydrocarbons, that are hydrocarbons different from the carbon chain species C<sub>n</sub>H and C<sub>n</sub>H<sub>2</sub>, but including isotopologs.

===== Partition Functions =====

  * Apr. 2010: started to add values at 2.725 and 5 K for some species. The log values are also displayed in the partition function table.

===== Molecules in Space =====

[[archive#molecules_in_space|Archive "Molecules in Space"]]

  * Feb. 2025: added dimethyl sulfide and 2- and 4-cyanopyrene; updated CH<sub>3</sub>SH documentation.
  * Jan. 2025: added 1-cyanopropargyl and thioacetaldehyde with documentations.
  * Nov. 2024: added MgS, NaS, and 1-cyanopyrene with documentations.
  * Oct. 2024: added 1- and 5-C<sub>12</sub>H<sub>7</sub>CN with documentation.
  * Sep. 2024: added dicyanomethane and //Z//-1,2-dicyanoethene with documentations; updated HOCS<sup>+</sup> documentation.
  * Aug. 2024: added HC<sub>3</sub>S, NC<sub>3</sub>S, CH<sub>2</sub>(CCH)<sub>2</sub>, and HNC<sub>5</sub> with documentations; updated PO, methanol, and 3-hydroxypropenal documentations.
  * July 2024: added HC<sub>3</sub>N<sup>+</sup> with documentation.
  * June 2024: added 1-butyne, HC<sub>5</sub>N<sup>+</sup>, and HC<sub>7</sub>N<sup>+</sup> with documentations.
  * May 2024: added CaC<sub>2</sub>, H<sub>2</sub>CNCN, and cyanothioketene with documentations.
  * Apr. 2024: added thioxyhydroxymethylium, thionylimide, and methoxyethanol with documentations; updated HCCNC, HNC<sub>3</sub>, and HNCS documentations.
  * Mar. 2024: added extragalactic protonated acetylene with documentation; updated H<sub>2</sub>O documentation.
  * Feb. 2024: added HCNS with documentation. Updated HNCS, HSCN, HNCO, and HCNO documentations.
  * Jan. 2024: updated SiC<sub>2</sub> documentation. The 2-butenenitrile species are counted as two because mutual conversion requires breaking of a (double) bond, hence, the E- and Z-species are different isomers, not conformers. 

===== Fitting Spectra =====

[[archive#fitting_spectra|Archive "Fitting Spectra"]]

  * Dec 2024: added methoxy files.
  * July 2024: added "Some considerations for using SPCAT".
  * May 2024: added 3-hydroxypropenal data.

===== Cologne Spectroscopy Data =====

[[archive#cologne_spectroscopy_data|Archive "Cologne Spectroscopy Data"]]

  * Feb. 2025: added cyclopentadiene files.
  * July 2024: added CH<sub>3</sub>OD and CH<sub>3</sub><sup>17</sup>OH files.
  * June 2024: added C<sub>2</sub>H<sub>5</sub>CP files.
  * Jan. 2024: isobutene files are complete.