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| archive [2022/03/17 09:03] – [Cologne Spectroscopy Data] mueller | archive [2025/04/03 14:32] (current) – [Molecules in Space] mueller |
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| ===== Less Recent Catalog Entries ===== | ===== Less Recent Catalog Entries ===== |
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| | * 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. |
| | * Dec. 2023: D<sub>2</sub>CS; C<sub>6</sub>H, //v// = 0; C<sub>6</sub>H, //v//<sub>11</sub> = 1 //μ//Σ; C<sub>6</sub>H, //v//<sub>11</sub> = 1 Δ; isobutene. |
| | * Nov. 2023: CD<sub>3</sub>OD, //v//<sub>t</sub> = 0; CD<sub>3</sub>OD, //v//<sub>t</sub> = 1; SO<sup>18</sup>O; CH<sub>3</sub>C(NH)CH<sub>3</sub>; //trans//-HONO; //cis//-HONO. |
| | * Oct. 2023: H<sub>2</sub>CS, //v//<sub>4</sub> = 1; H<sub>2</sub>CS, //v//<sub>6</sub> = 1; H<sub>2</sub>CS, //v//<sub>3</sub> = 1; H<sub>2</sub>CS, //v//<sub>2</sub> = 1; H<sub>2</sub>CS, //υ//<sub>4</sub> IR band; H<sub>2</sub>CS, //υ//<sub>6</sub> IR band; H<sub>2</sub>CS, //υ//<sub>3</sub> IR band; H<sub>2</sub>CS, //υ//<sub>2</sub> IR band; allylimine-Ta; H<sub>2</sub>C<sub>2</sub>S; CN<sup>+</sup>, //v// = 0; CN<sup>+</sup>, //v// = 1 − 0. |
| | * Sep. 2023: C<sub>10</sub>H<sup>−</sup>; SiCl<sup>+</sup>, //v// = 0, 1; CHD<sub>2</sub>CHO, //v//<sub>t</sub> = 0; //c//-C<sub>3</sub>H<sub>2</sub>D<sup>+</sup>; extended CHD<sub>2</sub>OH entry in frequency. |
| | * Aug. 2023: H<sub>2</sub>C<sub>3</sub>H<sup>+</sup>; SiF<sup>+</sup>, //v// = 0, 1; SiF<sup>+</sup>, //v// = 1 − 0, 2 − 1; SiF<sup>+</sup>, //v// = 2 − 0; <sup>29</sup>SiF<sup>+</sup>, //v// = 0; <sup>30</sup>SiF<sup>+</sup>, //v// = 0. |
| | * Jul. 2023: NO<sup>+</sup>, //v// = 0, 1; NO<sup>+</sup>, //v// = 1 − 0, 2 − 1; NO<sup>+</sup>, //v// = 2 − 0; HC<sub>3</sub>O<sup>+</sup>. |
| | * Jun. 2023: HMgC<sub>3</sub>N; NaC<sub>3</sub>N; CH<sub>3</sub>NHCH<sub>3</sub>; HSO; CCl<sup>+</sup>; C<sup>37</sup>Cl<sup>+</sup>; <sup>13</sup>CCl<sup>+</sup>. |
| | * May 2023: MgC<sub>6</sub>H<sup>+</sup>; MgC<sub>5</sub>N<sup>+</sup>. |
| | * Apr. 2023: //c//-CD<sub>2</sub>CH<sub>2</sub>O; MgC<sub>4</sub>H<sup>+</sup>; MgC<sub>3</sub>N<sup>+</sup>. |
| | * Mar. 2023: C<sub>6</sub>H<sub>5</sub>C<sub>3</sub>N; 1-CN-4-CCH-C<sub>6</sub>H<sub>4</sub>; 1-CN-2-CCH-C<sub>6</sub>H<sub>4</sub>; 1-CN-3-CCH-C<sub>6</sub>H<sub>4</sub>. |
| | * Feb. 2023: OH, //v// = 0; OH, //v// = 1; OH, //v// = 2; C<sub>7</sub>N<sup>−</sup>; C<sub>12</sub>H; C<sub>10</sub>H<sup>−</sup>. |
| | * Feb. 2023: Adjusted Q values and //g//<sub>up</sub> of excited state HC<sub>5</sub>N entries and the IR band to be compatible with version 2 of //v// = 0. |
| | * Jan. 2023: MgC<sup>13</sup>C; urea, //v// = 0; urea, //v//<sub>1</sub>; urea, //v//<sub>2</sub> & //v//<sub>3</sub>; urea, //v//<sub>4</sub> & //v//<sub>5</sub>. |
| | * Dec. 2022: DCS; H<sup>13</sup>CS; ethynylbutatrienylidene, NC<sub>4</sub>NH<sup>+</sup>; MgC<sub>2</sub>; <sup>26</sup>MgC<sub>2</sub>; <sup>25</sup>MgC<sub>2</sub>. |
| | * Nov. 2022: HC<sub>4</sub>S; DSC; HS<sup>13</sup>C. |
| | * Oct. 2022: //t//-C<sub>2</sub>H<sub>3</sub>NCO; //cis//-C<sub>2</sub>H<sub>3</sub>NCO; //g'Gg'//-alaninol; //gG'g//-alaninol; 2-hydroxypropenal. |
| | * Sep. 2022: <sup>13</sup>CH<sub>3</sub>OCH<sub>3</sub>; 2-Iminopropanenitrile; //c//-C<sub>2</sub>H<sub>3</sub>DO. |
| | * Aug. 2022: //E//-1-propanimine; //Z//-1-propanimine; //Z//-propynimine; //E//-propynimine; HC(O)OCH<sub>2</sub>D; HC(O)OCHD<sub>2</sub>; DC(O)OCH<sub>3</sub>; <sup>13</sup>CH<sub>3</sub>C(O)CH<sub>3</sub>; corrected intensities of SiS, //v// ≤ 19 and Si<sup>33</sup>S, //v// ≤ 9. |
| | * Jul. 2022: Ethenylidenecyclopentadiene; ethynylcyclopropynylidyne; allenyldiacetylene; heptatetraen-6-yne; allenylcyanoacetylene. |
| | * Jun. 2022: H<sub>2</sub><sup>13</sup>CC<sub>2</sub>S; HDC<sub>3</sub>S; H<sub>2</sub>C<sub>3</sub><sup>34</sup>S. |
| | * May 2022: H<sub>2</sub>C<sup>13</sup>CS; H<sub>2</sub><sup>13</sup>CCS; H<sub>2</sub>CC<sup>34</sup>S; HDC<sub>2</sub>S; H<sub>2</sub>C<sub>3</sub>S; H<sub>2</sub>C<sub>2</sub><sup>13</sup>CS; H<sub>2</sub>C<sup>13</sup>CCS. |
| | * Apr. 2022: //syn//-C<sub>2</sub>H<sub>3</sub>C(O)NH<sub>2</sub>, //v// = 0; //syn//-C<sub>2</sub>H<sub>3</sub>C(O)NH<sub>2</sub>, //v//<sub>24</sub> = 1. |
| | * Mar. 2022: //c//-C<sub>2</sub>H<sub>4</sub>O; //c//-C<sup>13</sup>CH<sub>4</sub>O; //c//-C<sub>2</sub>H<sub>4</sub><sup>18</sup>O; CD<sub>3</sub>OH, //v//<sub>t</sub> = 0; CD<sub>3</sub>OH, //v//<sub>t</sub> = 1; CHD<sub>2</sub>OH, //v//<sub>t</sub> = 0; HCCNCH<sup>+</sup>; HC<sub>7</sub>NH<sup>+</sup>. |
| | * Feb. 2022: MgS, //v// = 0, 1; <sup>25</sup>MgS, //v// = 0; <sup>26</sup>MgS, //v// = 0; Mg<sup>34</sup>S, //v// = 0; MgO, //v// = 0 − 2; <sup>25</sup>MgO, //v// = 0, 1; <sup>26</sup>MgO, //v// = 0, 1. |
| | * Jan. 2022: H<sub>2</sub>CCNH; <sup>47</sup>TiO, //v// = 0; <sup>47</sup>TiO, //v// = 1; <sup>47</sup>TiO, //v// = 2; <sup>47</sup>TiO, //v// = 3; glycinamide; <sup>49</sup>TiO, //v// = 0; <sup>49</sup>TiO, //v// = 1; <sup>49</sup>TiO, //v// = 2; <sup>49</sup>TiO, //v// = 3. |
| | * Dec. 2021: s-//cis//-H<sub>2</sub>C=CHCOOH; s-//trans//-H<sub>2</sub>C=CHCOOH; 1,3-//c//-C<sub>6</sub>H<sub>8</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>; //c//-C<sub>5</sub>H<sub>6</sub>-D<sub>1</sub>; //c//-C<sub>5</sub>H<sub>6</sub>-D<sub>2</sub>; //c//-C<sub>5</sub>H<sub>6</sub>-D<sub>5</sub>; HC<sub>3</sub>HCN; HCCS<sup>+</sup>. |
| | * Nov. 2021: fulvene; benzvalene; dewar benzene; dimethylenecyclobutene; norbornadiene; 3-methylene-1,4-cyclohexadiene; spiro[2.4]hepta-4,6-diene; //c//-C<sub>5</sub>H<sub>4</sub>O; ethylidenecyclopentadiene. |
| | * Oct. 2021: NCCNO; azulene; azenaphthene; CCD; azenaphthylene; fluorene. |
| | * Sep. 2021: //anti//-CH<sub>2</sub>CCHCH<sub>2</sub>CN; //syn//-CH<sub>2</sub>CCHCH<sub>2</sub>CN; MgC<sub>5</sub>N; H<sub>2</sub>NC; MgC<sub>6</sub>H. |
| | * Aug. 2021: Z-CH<sub>2</sub>(CH)<sub>3</sub>CN; E-CH<sub>2</sub>(CH)<sub>3</sub>CN. |
| | * Jul. 2021: HC(S)CN; HC(<sup>34</sup>S)CN. |
| * Jun. 2021: CH<sub>2</sub>(OH)CHO, //v// = 0; CH<sub>2</sub>(OH)CHO, //v//<sub>18</sub> = 1; CH<sub>2</sub>(OH)CHO, //v//<sub>12</sub> = 1; CH<sub>2</sub>(OH)CHO, //v//<sub>17</sub> = 1; CaH<sup>+</sup>; CH<sub>2</sub>DCCD; CHD<sub>2</sub>CCH; //l//-C<sub>5</sub>H<sub>2</sub>; H<sub>2</sub>C<sub>3</sub>HCCH; //l//-C<sub>8</sub>H<sub>2</sub>; CH<sub>2</sub>DC<sub>3</sub>N; HC<sub>2</sub>CHS. | * Jun. 2021: CH<sub>2</sub>(OH)CHO, //v// = 0; CH<sub>2</sub>(OH)CHO, //v//<sub>18</sub> = 1; CH<sub>2</sub>(OH)CHO, //v//<sub>12</sub> = 1; CH<sub>2</sub>(OH)CHO, //v//<sub>17</sub> = 1; CaH<sup>+</sup>; CH<sub>2</sub>DCCD; CHD<sub>2</sub>CCH; //l//-C<sub>5</sub>H<sub>2</sub>; H<sub>2</sub>C<sub>3</sub>HCCH; //l//-C<sub>8</sub>H<sub>2</sub>; CH<sub>2</sub>DC<sub>3</sub>N; HC<sub>2</sub>CHS. |
| * May 2021: <sup>44</sup>TiO, //v// = 0; <sup>44</sup>TiO, //v// = 1; H<sub>2</sub>CNOH; indene; //c//-C<sub>5</sub>H<sub>6</sub>; //c//-C<sub>3</sub>HCCH. | * May 2021: <sup>44</sup>TiO, //v// = 0; <sup>44</sup>TiO, //v// = 1; H<sub>2</sub>CNOH; indene; //c//-C<sub>5</sub>H<sub>6</sub>; //c//-C<sub>3</sub>HCCH. |
| ===== Molecules in Space ===== | ===== Molecules in Space ===== |
| |
| | * 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. |
| | * Dec. 2023: added isobutene with documentation. |
| | * Nov. 2023: added FeC with documentation. |
| | * Sep. 2023: added methylium and ethynylbenzene with documentation; updated C<sub>10</sub>H<sup>−</sup>, methylamine, and methyl isocyanide. |
| | * Aug. 2023: added H<sub>2</sub>C<sub>3</sub>N, carbonic acid, and glycolamide with documentations. |
| | * Jul. 2023: added //E//-CH<sub>2</sub>(CH)<sub>3</sub>CN and H<sub>2</sub>C<sub>3</sub>H<sup>+</sup> with documentations. |
| | * Jun. 2023: added HSO with documentation; updated H<sub>2</sub>NC and oxirane entries. |
| | * May 2023: added HMgC<sub>3</sub>N, NaCCCN, MgC<sub>4</sub>H<sup>+</sup>, MgC<sub>3</sub>N<sup>+</sup>, MgC<sub>6</sub>H<sup>+</sup>, and MgC<sub>5</sub>N<sup>+</sup>. |
| | * Mar. 2023: added methylketene with documentation; updated acetaldehyde and methylamine. |
| | * Feb. 2023: added C<sub>7</sub>N<sup>−</sup> and C<sub>10</sub>H<sup>−</sup> with documentations; updated NH<sub>2</sub>. |
| | * Dec. 2022: added SiP, MgC<sub>2</sub>, and NC<sub>4</sub>NH<sup>+</sup> with documentations. |
| | * Nov. 2022: added HC<sub>4</sub>S and ethynylbutatrienylidene with documentation, updated the oxirane entry. |
| | * Oct. 2022: added 2-cyanoindene with documentation. |
| | * Aug. 2022: added ethenylidenecyclopentadiene with documentation; updated ethenol documentation. |
| | * Jul. 2022: added //c//-C<sub>3</sub>C<sub>2</sub>H, CH<sub>2</sub>CCHC<sub>4</sub>H, and cyanopropene species with documentations; updated H<sub>2</sub>CCCHC<sub>3</sub>N documentation. |
| | * Jun. 2022: added //n//- and //i//-propanol with documentations. |
| | * May 2022: added PO<sup>+</sup>; updated NO<sup>+</sup> documentation. |
| | * Apr. 2022: added ethenediol and tentatively detected 3-hydroxypropenal; added extragalactic PN; updated extragalactic ArH<sup>+</sup> documentation. |
| | * Mar. 2022: added HCCS<sup>+</sup>, C<sub>5</sub>H<sup>+</sup>, HCCNCH<sup>+</sup> and HC<sub>7</sub>NH<sup>+</sup> with documentations; added tentative detection of cyanoheptatriyne; included tentatively detected ethylamine in the table; updated C<sub>3</sub>H<sup>+</sup> and CH<sub>3</sub>C<sub>4</sub>H documentations. |
| | * Jan. 2022: added extragalactic methyl formate and dimethyl ether with documentations. |
| | * Dec. 2021: added HC<sub>3</sub>O, C<sub>5</sub>O, vinylamine, 1-, and 2-ethynylcyclopentadiene with documentations; added C<sub>3</sub>O documentation, updated those of C<sub>2</sub>O and H<sub>2</sub>CCNH. |
| | * Nov. 2021: added CH<sub>2</sub>CCCN with documentation. |
| | * Oct. 2021: added ethyl isocyanate and galactic as well as extragalactic H<sub>2</sub>NC detections with documentations; updated H<sub>2</sub>CN documentation. |
| | * Sep. 2021: added MgC<sub>5</sub>N and MgC<sub>6</sub>H with documentations; added H<sub>2</sub>CN documentation. |
| | * Aug. 2021: added HNCN, //ortho//-benzyne, and H<sub>2</sub>CCCHC<sub>3</sub>N with documentations; updated the dimethyl ether documentation. |
| | * Jul. 2021: updated CH<sup>+</sup> and SH<sup>+</sup> entries. |
| * Jun. 2021: added pentatetraenylidene, thiopropynal, and cyanothioformaldehyde; updated glycolaldehyde, propyne, methylcyanoacetylene, and formyl cyanide entries. | * Jun. 2021: added pentatetraenylidene, thiopropynal, and cyanothioformaldehyde; updated glycolaldehyde, propyne, methylcyanoacetylene, and formyl cyanide entries. |
| * May 2021: added propargyl, butenyne, ethynylallene, thioformic acid, ethynylcyclopropenylidene, cyclopentadiene, indene, and ethanolamine; updated methanethiol, ethanethiol, and ethenol entries. | * May 2021: added propargyl, butenyne, ethynylallene, thioformic acid, ethynylcyclopropenylidene, cyclopentadiene, indene, and ethanolamine; updated methanethiol, ethanethiol, and ethenol entries. |
| ===== Fitting Spectra ===== | ===== Fitting Spectra ===== |
| |
| | * Dec. 2020: added aminoacetonitrile example. |
| | * Nov. 2020: added hydroxymethyl data. |
| * June 2017: added NO files with FTIR data. | * June 2017: added NO files with FTIR data. |
| * Apr. 2016: added ethanethiol files. | * Apr. 2016: added ethanethiol files. |
| ===== Cologne Spectroscopy Data ===== | ===== Cologne Spectroscopy Data ===== |
| |
| | * Sep. 2023: added new H<sub>2</sub>CS files with H<sub>2</sub>C<sub>2</sub>S. |
| | * Jun. 2023: added CCl<sup>+</sup> files. |
| | * May 2023: added CH<sub>3</sub>NHCH<sub>3</sub> files. |
| | * Apr. 2023: added //c//-CD<sub>2</sub>CH<sub>2</sub>O files. |
| | * Sep. 2022: added //c//-C<sub>2</sub>H<sub>3</sub>DO files. |
| | * Mar. 2022: added CD<sub>3</sub>OH, oxirane, and //gauche//-propanal files. |
| | * Feb. 2021: added cyclopropenone files. |
| * Sep. 2020: the new //n//-propyl cyanide files are now available. | * Sep. 2020: the new //n//-propyl cyanide files are now available. |
| * Aug. 2020: HC<sub>5</sub>N and HC<sub>7</sub>N files are available with catalog files and others. | * Aug. 2020: HC<sub>5</sub>N and HC<sub>7</sub>N files are available with catalog files and others. |