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Universität zu Köln
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Mathematisch-Naturwissenschaftliche Fakultät
Fachgruppe Physik

I. Physikalisches Institut

What is not quite so new anymore?

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Back to what´s new.

Aug. 2003: the layout of the page has been changed. In addition, several changes and improvements have been made. Details are given below.

Less Recent Catalog Entries

  • Dec. 2013: H2NCH2CN; HDNCH2CN; D2NCH2CN; s-cis-H2C=CHCOOH; s-trans-H2C=CHCOOH; 38ArH+; added isotope explanations to all ArH+ isotopologs; corrected slight errors in S atom entry.
  • Nov. 2013: H2NCO+; methyleneaminoacetonitrile; MgOH; CaOH.
  • Oct. 2013: Propadienonethione; CH2D+; trans-HOCO; cis-HOCO; corrected minor frequency issues in the data for ethanol with one 13C.
  • Sep. 2013: c-C2H4S; HMgNC; HSiCN; HSiNC; NH3D+; c-C6H5OH.
  • Aug. 2013: CO+, v = 0; CO+, v = 1; 13CO+; C18O+; 13C18O+.
  • July 2013: CH2DCN; CHD2CN.
  • June 2013: C3S, v = 0; C334S; 13CCCS; C13CCS; CC13CS; C13C13CS; 13CC13CS; CC13C34S; C13CC34S, 13CCC34S; C3S, v5 = 1.
  • May 2013: PH3; TiO; reevaluated HN13C.
  • Apr. 2013: malononitrile; formamide, v = 0; formamide, v12 = 1; H13C(O)NH2; DC(O)NH2; reevaluated CH3C8H, CH3C7N, and CH3C9N; corrected partition function in HC(18O)NH2 documentation.
  • Feb. 2013: CH2(OH)13CHO; 13CH2(OH)CHO; C2H513CN; CH313CH2CN; 13CH3CH2CN; lowered intensity cut-offs for PH3 entry.
  • Jan. 2013: C2H5NH2, anti-conformer.
  • Dec. 2012: HSiS; HSiO.
  • Nov. 2012: H2F+; H2SiO; H2SiS; C3H+.
  • Oct. 2012: corrected spin-statistics for c-C2H4O and c-C2H418O; some links and references have been corrected.
  • Sep. 2012: YO; AlS; AlCCH; ScS; YS; HSO.
  • Aug. 2012: a-CH313CH2OH; a-13CH3CH2OH.
  • July 2012: c-C3D2; HCCO; HNCN; H2CNH; c-C2H4O; c-C13CH4O; c-C2H418O; corrected 13C+ and 36ArH+ entries.
  • June 2012: c-C3HD; c-13CC2H2; c-CC13CH2.
  • May 2012: c-C3H2; H2O+; OD+; 18OH+.
  • Apr. 2012: HC5N, v11 = 5; HC3N, v4 = 1; HC3N, v7 = 4 / v5 = v7 = 1; HC3N, v6 = 2; corrected and applied transition dipole moment for HCCCN, ν1 band.
  • Mar. 2012: AA-n-C4H9CN, GA-n-C4H9CN, AG-n-C4H9CN, HC5N, v10 = v11 = 1; modified state description of v6 = v7 = 1 for HCCCN as well as its isotopologs with one 13C.
  • Feb. 2012: H2D+; HD2+; 2-Aminopropionitrile; extended J range for SiO, v = 0 – 6; 29SiO, v = 0 – 3; 30SiO, v = 0 – 3; Si18O, v = 0 – 3.
  • Jan. 2012: NaCN; Na13CN; HCCN; H13CCN; HC13CN; DCCN; HCC15N; reevaluated c-H2C3O entry; omitted redundant quantum numbers in 15N34S entry; corrected code for QNFMT in entries for TiS isotopologs.
  • Dec. 2011: SiC2, v = 0; 29SiC2; 30SiC2; HD; H2N13CN; HCCCN, ν3 band; HCCCN, ν2 band; HCCCN, ν1 band; added separate para and ortho entries as well as ortho hyperfine entries for H2CCO and H2CS; updated old D2CO entry which supposedly had been updated long time ago; corrected frequency of the F = 2 – 1 component of 13C+.
  • Nov. 2011: 15NH3; HCCCN, v6 = v7 = 1; H13CCCN, v6 = v7 = 1; HC13CCN, v6 = v7 = 1; HCC13CN, v6 = v7 = 1; HCC13CN, v4 = 1; HCC13CN, v4 = v7 = 1.
  • Oct. 2011: NaCCH; CaCCH; KCCH; LiCCH; corrected ab initio dipole moment of MgCCH.
  • Sep. 2011: cis-HOSO+; HSCO+; HOCS+; C2Cl; C237Cl; C3F; C3Cl; c-C3HCN; C2H3C3N; (E)-HC2CHCHCN; (Z)-HC2CHCHCN.
  • Aug. 2011: NS, v = 0; NS, v = 1; NS, v = 1 – 0 IR band; N34S; N33S; 15NS; 15N34S; N36S; separate ortho and para entries are available for H2S isotopologs.
  • July 2011: c-C3H5CN; NCO; OSiS.
  • June 2011: TiO2; 46TiO2; 50TiO2.
  • May 2011: D2O; NHD2; CH2DCN; CHD2CN.
  • Apr. 2011: extended frequency range for hyperfine predictions of HCN, v = 0.
  • Mar. 2011: gG'a-1,2-propanediol; g'G'g-1,2-propanediol; c-C3H2; renamed 1,2-propanediol aG'g-1,2-propanediol.
  • Feb. 2011: NaCl, v = 0 – 4; glycolic acid; glyoxylic acid; i-C3H7CN.
  • Jan. 2011: KCl, v = 0 – 4.
  • Dec. 2010: SiH.
  • Nov. 2010: N2H+, ν2; TiS; 46TiS; 50TiS.
  • Sep. 2010: HCO+, ν2.
  • Aug. 2010: C+; 13C+; O atom; N+; Si atom; S atom; Si+; Al atom; Fe atom; Fe+; SiC2.
  • Aug. 2010: adjusted dipole moments for CCH to old value which turned out to be better; entries for minor isotopologs of CCH may have more lines.
  • July 2010: CCH, v = 0; CCH, v2 = 1; CCH, v2 = 2; CCH, v3 = 1; CCH, ν2 FIR band; CCH, ν3 IR band; CCH, ν2 + ν3 IR band; CCH, 5ν2 IR band.
  • June 2010: H2DO+; CH2D+; CH3OCH3, v = 0.
  • May 2010: CH+, v = 1 – 0; CH+, v = 2 – 0; 13CH+, v = 1 – 0; CD+, v = 1 – 0.
  • May 2010: Started to provide separate entries for para and ortho spin modifications along with separate partition function values: H2Cl+; H237Cl+; D2O.
  • Apr. 2010: H237Cl+; CH+; 13CH+; CD+; 13CD+; 14CH+; CT+.
  • Mar. 2010: corrected the tag for H2Cl+.
  • Feb. 2010: CF+, v = 0, 1; 13CF+, v = 0, 1; O2, a 1Δ; CaO, v = 0, 1; CaS, v = 0, 1.
  • Jan. 2010: O2, X 3Σ, v = 0; O18O; 18O2; C3N; C13CH.
  • Dec. 2009: AlH; CH3CN, v = 0; 13CH3CN, v = 0; CH313CN, v = 0; CH3C15N, v = 0; CH2DCN; 13CH313CN.
  • Nov. 2009: Benzonitrile (c-C6H5CN); HONC; 1,2-Propanediol; HSCN; H2Cl+.
  • Oct. 2009: C2H3+; CH3CP.
  • Sep. 2009: LiOH; DCO+; DNC; HN13C.
  • Aug. 2009: BO; 10BO; CCH, v = 0; aa-diethyl ether; C2H5CN, v = 0; NaOH; KOH; 41KOH; ag-diethyl ether; corrected dipole moment of CH+.
  • July 2009: HBO; H10BO.
  • June 2009: CO+; CH3D; 13CH3D; l-C4HD; l-C3HD.
  • May 2009: CO, v = 1 – 3; CH+; HOCN; HC(O)NH2; H13C(O)NH2; HC(O)15NH2; HC(18O)NH2; HNCO.
  • Apr. 2009: n-C3H7CN; ethyl formate; SH+; CCP; 13CCP; C13CP.
  • Mar. 2009: C3H; C3D; N2H+, v = 0; N2D+; 15NNH+; N15NH+; 15NND+; N15ND+; corrected parities for all C3H entries.
  • Feb. 2009: 13CCCO; C13CCO; CC13CO; C318O; C2H5C15N; CH3CHDCN; CH2DipCH2CN; CH2DoopCH2CN.
  • Jan. 2009: C2H; C4H; CN; HCNO; DCNO; H13CNO; HC15NO; C3O, v = 0; C3O, v5 = 1.
  • Dec. 2008: HCCCHO; s-C2H5CHO; D234S.
  • Nov. 2008: H234S; H233S; HD34S.
  • Nov. 2008: corrected CH3D entries because the catalog files did not contain the distortion corrections to the dipole moment.
  • Oct. 2008: PH3; HDS; α-alanine, conformer I; α-alanine, conformer II; H2S; D2S; C5N; CS, v = 0 – 4.
  • Sep. 2008: 15NH2D; 15NHD2; C4H, C4D, HD13CO; D213CO.
  • Sep. 2008: corrected tag for CCP. As a consequnce, the tag for HS2 had to be corrected as well.
  • Aug. 2008: SH+; CH3CCH, v = 0; CH3C4H.
  • July 2008: CS+; HS2; BH; C3N.
  • May 2008: 15NH3; C2H3CN, v = 0; H213CCHCN, v = 0; H2C13CHCN, v = 0; H2CCH13CN, v = 0; H2CCHC15N.
  • April 2008: HeH+; PO; CCP; PN; P15N; TiO2; 46TiO2; 50TiO2; corrected tag for 36ArH+; corrected duplicate lines in c032504.cat and c033502.cat.
  • Mar. 2008: DC3N, v = 0; DC3N, v7 = 1; D13CCCN; DC13CCN; DCC13CN; DC315N; CH3D.
  • Feb. 2008: H2CS.
  • Jan. 2008: H2DO+; HCCD; SiC2, v = 0; SiC2, v3 = 1; SiC2, v3 = 2; Si13CC; 29SiC2; 30SiC2; H2NCH2CN.
  • Dec. 2007: HCNH+; H13CNH+; NeH+; NeD+; 22NeH+.
  • Nov. 2007: corrected gup values and a small typographical error in the D2O entry.
  • Oct. 2007: HCO+, v = 0; HCO+, v2 = 1; H13CO+; DCO+; D13CO+; HC3N, v3 = 1; HC3N, v2 = 1; H3O+.
  • Sep. 2007: ArH+; ArD+; 36ArH+.
  • Aug. 2007: SiC2, v = 0; Si13CC; 29SiC2; 30SiC2; SiC2, v3 = 1.
  • July 2007: corrected coding of the format of the quantum numbers for C3H and its isotopic species. Corrected intensity in C3N, v = 0; the partition function had considered the lowest excited vibrational state, however, the old predictions did not.
  • June 2007: HCP, v = 0; H13CP
  • May 2007: NCS; CN; HCN, v = 0; HCN, v2 = 1; HCN, v2 = 2; HCN, v2 = 3; HCN, v3 = 1; HCN, v1 = 1; C2H2, ν5ν4.
  • Apr. 2007: C2H5CN, v = 0; C2H513CN, v = 0; CH313CH2CN, v = 0; 13CH3CH2CN, v = 0; NaCN, NaNC; Na13CN, NaN13C; KCN, KNC; modified ethylenimine and SO17O entries.
  • Mar. 2007: Si34S, v = 0 – 2; Si34S, v = 1 – 0; 30SiS, v = 0 – 2; 30SiS, v = 1 – 0; Si33S, v = 0, 1 ; 29Si34S, v = 0, 1 ; 30Si34S, v = 0, 1; 29Si33S; 30Si33S; Si36S; 29Si36S; 30Si36S; C2H
  • Feb. 2007: SiS, v = 0 – 5; SiS, v = 1 – 0 and v = 2 – 1; SiS, v = 2 – 0; 29SiS, v = 0 – 2; 29SiS, v = 1 – 0
  • Feb. 2007: corrected tags in entries 044510 and 044511; corrected some links to files with hyperfine splitting.
  • Jan. 2007: SH; C4H; C8H; NHD2; D2O
  • Jan. 2007: corrected the degree of freedom in the rotational partition function for several linear molecules; see also the brief description of the format of the catalog entries in the general section of the CDMS catalog.
  • Dec. 2006: H13C15N, v = 0; H13C15N, v2 = 1; OH; OD; 18OH
  • Nov. 2006: 13CO; C6H
  • Oct. 2006: H2COH+; H213COH+
  • Sep. 2006: CH3OH, vt = 0, 1; SiN; HNCNH; CH; CS, v = 1 – 0 and v = 2 – 1; CS, v = 2 – 0; 13CS, v = 1 – 0; C34S, v = 1 – 0
  • Aug. 2006: HCNH+; CH3CNH+; S2O, v = 0
  • July 2006: omitted redundant vibrational identifier in c047501.cat and corrected coding of the quantum numbers
  • June 2006: H2CCNH; HC(O)CN; NCC(O)NH2; NO+; NCHCCO
  • May 2006: DC15N; D13C15N; H13CN, v = 0; H13CN, v2 = 1
  • Apr. 2006: Separate ortho and para transition frequencies are available through links in the documentation files for low energy states of H2D+; HD2+; CH2; NH2; NH2D
  • Apr. 2006: glycine, conf. I; glycine, conf. II; DCN, v = 0; DCN, v2 = 1; D13CN; corrected QNFMT in c017501.cat, w017501.cat., c027501.cat, w027501.cat, c027503.cat, w027503.cat
  • Mar. 2006: C2H2, ν5ν4; H2CCCHCN; Ga-n-C3H7OH; C5H; l-13CC3H2; l-C13CC2H2; l-C213CCH2; l-C313CH2; corrected entry for C3, ν2 band
  • Feb. 2006: H2CS; D2CS; NaC; H2C34S; H213CS; H2C33S; N2D+; N2H+, v = 0; N2H+, v2 = 1
  • Jan. 2006: H13CCCN, v6 = 1; HC13CCN, v6 = 1; HCC13CN, v6 = 1; H13CCCN, v5 = 1 / v7 = 3; HC13CCN, v5 = 1 / v7 = 3; HCC13CN, v5 = 1 / v7 = 3; HDC2O; D2C2O
  • Dec. 2005: C3O2, ν7; 13CC5H; C13CC4H; C213CC3H; C313CC2H; C4C13CCH; C513CH; C6D; HCC13CN, v7 = 2; HC13CCN, v7 = 2; H13CCCN, v7 = 2
  • Nov. 2005: C2H3NH2, within 0+ & 0; C2H3NH2, 0 ← 0+; OCS, v = 0; DNC; C6H
  • Oct. 2005: DCO+; HCO+, v = 0; HCO+, v2 = 1; D13CO+; DC18O+; CH3CCNC; HC5N, ν7; corrected small error in predicted frequency uncertainties of c032503.cat and w032503.cat
  • Sep. 2005: HD, v = 0, 1; C; 13C; CF+, v = 0, 1; CH2; C4D
  • Aug. 2005: HC15N, v = 0; HC15N, v2 = 1; HD2+; H2D+; H2CO; 29SiC4; Si13CC3; SiC13CC2; SiC213CC; SiC313C; 30SiC4
  • July 2005: SO2, v = 0; SO2, v2 = 1; SO2, ν2
  • May 2005: CN, v = 0, 1; 13CN; C15N; 13C15N; CH3CCH, ν10; CH3CCH, ν9; corrected tags in c026503.cat
  • April 2005: OCS, v = 0; OCS, v2 = 1; OC34S; O13CS; OC33S; 18OCS; 17OCS; O13C34S; OC36S; O13C33S; 18OC34S; 18O13CS; corrected tags in c040504.cat, w040504.cat
  • Mar. 2005: H2C2N; H2C4N; DC3N, v7 = 1; H13CCCN, v7 = 1; HC13CCN, v7 = 1; HCC13CN, v7 = 1; HC315N, v7 = 1; minor modification of DC3N entry; corrected tags in c016502.cat, w016502.cat, and c050503.cat
  • Feb. 2005: N2H+; 15NNH+; N15NH+; N2D+; HNCS; separated HNC, v2 = 0, 1 and updated v = 0 entry
  • Dec. 2004: H13C13CCN; H13CCCN; HC13CCN; HCC13CN; HCCC15N; HC18O+; HC6N, adjusted HC4N
  • Nov. 2004: HC5N, v11 = 1; HC5N, v11 = 2; HC5N, v10 = 1; HC5N, v11 = 3; HC5N, v11 = 4; HC5N, v9 = 1
  • Oct. 2004: D2CO; HC7N, v = 0; HC7N, v15 = 1; HC7N, v15 = 2; HC11N; H13CC4N; HC13CC3N; HC213CC2N; HC313CCN; HC413CN; HC515N; adjusted HC9N, HC5N, v = 0, and DC5N
  • Sep. 2004: NHD2; DC3N; DC7N; H13CC6N; HC13CC5N; HC213CC4N; HC313CC3N; HC413CC2N; HC513CCN; HC613CN; HC715N; adjusted HC7N, v = 0
  • Aug. 2004: HC5N, v = 0; DC5N; C3H; C3D; 13CCCH; C13CCH; CC13CH
  • July 2004: corrected some links.
  • July 2004: CH2D+; KCl; K37Cl; 41KCl
  • June 2004: c-C3H4; butenyne (C4H4); methylenecyclopropene {(c-C3H2)CH2}
  • May 2004: HDCS; NH; gGg' ethylene glycol; NH2D
  • Apr. 2004: CCH, v2 = 1; (CCH, v = 0); 13C33S; 13C36S; CH3C8H; CH3C7N; CH3C9N; (CH3C3N); HD2+
  • Mar. 2004: HOC+, v2 = 0; HOC+, v2 = 1; DOC+; NiCO; (FeCO); NiO; (NiC); (CoC)
  • Feb. 2004: The catalog files are also available directly as plain ascii files.
  • Feb. 2004: H13CO+; HC17O+; benzyne; ND
  • Jan. 2004: H2C3H; CS, v = 0 – 2; C34S, v = 0, 1; 13CS, v = 0, 1; C33S, v = 0, 1; C36S; 13C34S
  • Dec. 2003: C3N, v = 0; C3N, v5 = 1; 13CCCN; C13CCN; CC13CN; C315N; AlCN; altered AlNC entry
  • Nov. 2003: aa-(C2H5)2O; TiO; H2C2O; H2C13CO; H213CCO; H2C218O; HDC2O; D2C2O
  • Nov. 2003: indicated detection of species in ISM/CSM in remaining documentations. Please feel free to report errors with references. Corrected some relative terrestrial (!) isotopic abundances.
  • Oct. 2003: H2CCN
  • Sep. 2003: aGg' ethylene glycol
  • Aug. 2003: C2N; ONCN; HPO; HCS; HSC
  • Aug. 2003: The catalog directory is given in html format.
  • July 2003: t-HCOOH; c-HCOOH; t-H13COOH; TiN; NCO
  • June 2003: HCS+; H13CS+; DCS+; HC34S+
  • Apr. 2003: OH+; HC13N; t-HC3O; ScCl; Sc37Cl
  • Mar. 2003: NH2OH; H2CO; NCS; ScF
  • Feb. 2003: H13CC13CN; C3, ν2; NaF, v = 0, 1; KF, v = 0, 1; HCN, v = 0; HCN, v2 = 1
  • Jan. 2003: C17O; 13C17O; CH3CCH, v = 0; CH3CCH, v10 = 1; butenyne (C4H4); HCC13C15N; HC13C13CN
  • Dec. 2002: CH3OH; 13CH3OH
  • Nov. 2002 ff: add note to documentation whether species has been observed in ISM or CSM (interstellar or circumstellar medium).
  • Oct. 2002: NaC; CaC; H2C3S; l-H2C3O
  • Sep. 2002: HCN, v = 0; NaCl, v = 0, 1; Na37Cl, v = 0, 1; CH3C5N; CH3C4H; CH3C6H
  • June 2002: H2C2S; ND3; l-C3H2; l-13CCCH2; l-C13CCH2; l-CC13CH2
  • May 2002: l-C4H2; l-C5H2; l-C6H2; l-C7H2
  • Apr. 2002: CH3CCD; CH2DCCH
  • Feb. 2002: l-H2C3O; CuH; 65CuH; ZnH; 66ZnH; 68ZnH
  • Jan. 2002: SiCN; SiNC; SiCCH
  • Dec. 2001: C3S; C13CCS; 13CCCS; C334S; FeCO
  • Nov. 2001: Added remarks on the existence of more than one spin state where applicable. This may be important at low temperatures.
  • Nov. 2001: PH2; CCS; C4S; l-C7H2
  • Oct. 2001: NH2; s-H2C=CHOH; a-H2C=CHOH
  • Sep. 2001: CaF; CaCl; CoC; NiC
  • Aug. 2001: PNO; HPO; PH; H2CP
  • July 2001: 13CCCCH; C13CCCH; CC13CCH; CCC13CH
  • June 2001: C18O; HC7N; CH2(OH)CHO; HC9N
  • May 2001: MgH; HCNH+; HCND+; HC4NC
  • Feb. 2001: The tags for H2C18O and for 13C18O have changed because of a wrong tag for the former.
  • Jan. 2001: Each documentation contains a stick diagram of the spectrum at 300 K.
  • Jan. 2001: KC; NaCH; KCH; NaH; KH; SiCN
  • Dec. 2000: HC3N, v6 = v7 = 1; SiO; 29SiO; 30SiO; Si18O; HNC, v2 = 0, 1; HC3NH+
  • Nov. 2000: SiC4; l-SiC3; SiC5; SiC6; MgCCH; NaCCH
  • Oct. 2000: HC3N, v = 0, v7 = 1, v7 = 2, v6 = 1, v4 = 1, v4 = v7 = 1; HC3P; NC2P; H2C2O; CO, v = 0
  • Sep. 2000: C2H3NH2 (vinylamine); CH2(OH)CHO (glycolaldehyde); C4H, v = 0, v7 = 1, v7 = 20, v7 = 22; C4D
  • Aug. 2000: TiO; FeC
  • July 2000: 13C18O; H2CN; C8H; C7H; C9H; C10H;
  • June 2000: MgF; MgCl; CH3C3N
  • May 2000: 13CCH, C13CH; H213CO; CF; MgNC, v2 = 0; l-H2C5; l-H2C6
  • April 2000: CCH; CCD; HCN, v = 0; H13CN; H2COH+; l-HC4N; 13CO
  • Some catalog entries are available with frequencies in units of cm–1. This applies mainly to light hydrides and some stable molecules that might be of interest as secondary standards.

General Section

  • Jan. 2007: added Remarks on Selection Rules.

Catalog Search Form

  • Aug. 2010: new molecule group: atomic fine structure.
  • Dec. 2009: new molecule group: metal compounds.
  • Jan. 2007: new molecule group: Anions.
  • Mar. 2006: new molecule groups: CnH and CnH2.
  • Oct. 2005: new sorting criterion available: lower state energy; optimized conversion – apparently with minute effects
  • Aug. 2005: corrected y-axis labeling in graphic output.
  • June 2005: New conversion option I2 is available. Output of value is possible for intensity I, A-value, or line strength 2 instead of decadic logarithm of value (default). This afforded more characters for some columns.
  • Dec. 2004: Defined several new special groups.
  • Nov. 2004: Several smaller changes in the appearance.
  • Sep. 2004: Corrected a bug that temporarily prevented search output from being created. Minor modification of graphical output.
  • Feb. 2004: New search option available: Searches are possible within a predefined group of species, e.g. only those already observed in the ISM or CSM besides searching for all molecules in the database or specified ones.
  • Sep. 2003: Added additional output option and removed small bugs.
  • Aug. 2003: Several changes; including default values for all selections except the molecules. Output as text can be sorted by species (followed by frequency), be frequency, or by intensity. Graphic output has been optimized.
  • July 2003: Removed bug that caused wrong A values if frequencies were requested in units of cm–1 and another one that took the decadic logarithm of lg(Sµ2). Minor modification of search page.
  • Mar. 2001: The A value (base 10 logarithm) can be requested instead of the intensity at a certain temperature.
  • Feb. 2001: A recalculation of the intensities of a search output can be requested for 300 (default), 225, 150, 75, 37.5, 18.75, and 9.375 K.
    A specific species may be highlighted in a graphic output.
  • Jan. 2001: added graphic output option: stick diagram of the spectrum in the requested region.
  • Dec. 2000: added some checks of the input
  • May  2000: removed a bug that gave no output for some entries
  • May  2000: added head to the output that gives some information on the catalog entries

Partition Functions

  • Aug. 2003: A new subsection has been added which gives the decadic logarithm of the partition function at selected temperatures.

Molecules in Space

  • Dec. 2013: added ArH+ with documentation; updated OH+ and H2O+ documentations.
  • Nov. 2013: added H2NCO+ with documentation; updated HF and HCl documentations.
  • Sep. 2013: added HMgNC with documentation.
  • July 2013: added methyl acetate with documentation; updated ethyl formate and C3H+ documentations; created separate propyl cyanide documentation.
  • June 2013: added ammonium with documentation; updated c-SiC2 and extragalactic fullerenes entries.
  • May 2013: updated dimethyl ether, c-C3H2, and C3H+ documentations.
  • Apr. 2013: added Extragalactic formamide and HCS+; updated Extragalactic HF, OH+, H2O+, and H3O+ documentations.
  • Mar. 2013: added TiO and TiO2 with documentations.
  • Feb. 2013: added ethanimine and cyanomethanimine with documentations; updated formamide documentation.
  • Nov. 2012: added C3H+ with documentation; added documentation for HCO+; updated documentations on methyl formate and CF+.
  • Oct. 2012: added HNCNH and CH3O with documentations.
  • Sep. 2012: added documentations for SiC, C2S, and C3S; updated documentation for glycolaldehyde; provided additional information for CCO.
  • Aug. 2012: added documentations for C6H2, CH3C3N, and for oxirane, c-C2H4O; corrected documentation for formamide; updated documentations for methyl formate and for CH3C5N.
  • July 2012: updated documentations for HF, HCOOH, ethanol, dimethyl ether, methyl formate, glycolaldehyde, ethylene glycol.
  • May 2012: added SH, HCl+, and HO2 with documentations, updated O2 documentation; added Extragalactic SO+, l-C3H, l-C3H2, H2CCN, H2CCO, C4H, CH3NH2, CH3CHO, mono-, di-, triacetylene, and benzene with documentations.
  • Apr. 2012: added HNC, HC7N, and vinyl alcohol documentations; updated and extended the one for glycolaldehyde.
  • Mar. 2012: added further details for HNCO, HOCO+, H2CNH, H2C2O, CH3CHO, and C2H3CN, and H2Cl+.
  • Jan. 2012: added C2H documentation; updated C60 documentation (both Galactic as well as Extragalactic); provided additional information in HC2N / HC4N documentation.
  • Dec. 2011: added cyanamide documentation; updated acetamide documentation.
  • Sep. 2011: added documentations for c-C3H and l-C3H; updated HCS+.
  • Aug. 2011: added documentation for NS; updated HCl, HF, and O2.
  • July 2011: added documentation for H2CS and updated the one for H2CCN.
  • June 2011: added H2O2; updated HCN, polyacetylenes, and C60; added extragalactic C60.
  • May 2011: added FeCN; updated H3O+.
  • Apr. 2011: added KCN; added documentations for MgNC and MgCN; updated documentations for CH+, NH, and methyl formate.
  • Mar. 2011: added documentations for SiC2 and c-C3H2.
  • Jan. 2011: added documentation for acetylene, updated and modified those for di- and triacetylene, and modified the one for benzene.
  • Dec. 2010: added SH+ and Extragalactic HF; updated interstellar HF.
  • Oct. 2010: added H2Cl+, C60, and C70 as well as Extragalactic NH, OH+, and H2O+; added documentations for CH3SH and dimethyl ether and updated the one for C2H5CN.
  • Aug. 2010: added documentations for C3, C5, and C4Si; updated OH+.
  • July 2010: added OH+, H2O+, CN; updated Extragalactic CO+ and HC3N.
  • May 2010: updated HOCN documentation. Omitted SH because the detection refers to the stellar atmosphere.
  • Mar. 2010: added AlOH.
  • Jan. 2010: added documentation for CH3CN and updated documentation for NH3.
  • Nov. 2009: added documentations for ethanol and ethanal.
  • Sep. 2009: added HSCN; added documentation for HNCS.
  • June 2009: updated documentation for HC9N.
  • May 2009: added HOCN; added documentation for HNCO, HC(O)NH2, and CO+; updated documentation for formic acid.
  • Apr. 2009: added ethyl formate and n-propyl cyanide as well as links to a MPIfR press release; updated aminoacetonitrile.
  • Mar. 2009: added AlO.
  • Feb. 2009: added HCNO.
  • Oct. 2008: added C5N; added H2S and SiH4 documentations, modified the one for HC11N, and updated the one for C6H.
  • June 2008: added tentative detection of PH3; updated SiS and vinyl cyanide documentations.
  • Apr. 2008: added C3N.
  • Mar. 2008: added HC(O)CN; added HOCO+ documentation.
  • Jan. 2008: added extragalactic H3O+; added aminoacetonitrile; added H3O+ documentation; updated entries for C6H and C4H.
  • Aug. 2007: added C3C6 and PO.
  • July 2007: added C8H.
  • May 2007: added C4H and HCP; added documentation to C4H, C5H, C7H, C8H, and to CP.
  • Apr. 2007: added documentation to H2O and NaCN; updated ethyl cyanide and O2 documentations.
  • Mar. 2007: added documentations to HCl, HF, NH, NH2; updated HCN and ethyl cyanide documentations; modified CH+ documentation.
  • Feb. 2007: added documentation to SiS and methyl formate; modified documentation to formic acid.
  • Nov. 2006: added C6H and documentation to C6H.
  • Oct. 2006: added documentation to H2COH+.
  • June 2006: added H2CCNH and SiH with comments; added comments to H2CCO; H2CNH; updated NH3
  • May 2006: modified placement of glycine and added comments on not-yet-detection of dihydroxyacetone.
  • Apr. 2006: added 1,3,5-heptatriyne and acetamide
  • Feb. 2006: added cyanoallene, cyclopropenone, and ethyl methyl ether; added documentations to SiN, CH2, HC9N, HC11N, and acetone; updated the ones for O2, CH+, and glycolaldehyde
  • Dec. 2005: updated ethylene glycol entry
  • Sep. 2005: a new table is available. It contains molecules detected outside of our galaxis. Links with some basic information on the detection is given for all species.
  • Sep. 2005, ISM/CSS: added documentations to CF+, CH3C5N, and AlNC.
  • Dec. 2004: erased CH2D+ because no information is available in the literature; added information on NH3 and updated glycine.
  • Nov. 2004: added SiNC and l-HC4N as well as information on these and related SiCN and HCCN species.
  • Sep. 2004: updated information on glycolaldehyde
  • July 2004: added propenal, propanal, information on these species and on propynal, methyldiacetylene, and ethyl cyanide
  • May 2004: updated information on ethylene glycol
  • Apr. 2004: added information on HCN and H2D+/HD2+
  • Dec. 2003: added information on CCO, C2H3CN, C5N, H2CCN, HCS+, O2
  • Oct. 2003: updated glycine comment and added comments to HC4H, HC6H, and benzene.
  • Sep. 2003: added glycine and comments to some entries.
  • Jan. 2001: A new section has been added to the Cologne Database for Molecular Spectroscopy which lists the known molecules in space. Currently, "only" this list is presented. Links to the catalog entries and to some basic background information is intended.

Fitting Spectra

  • Mar. 2011: added c-C3H2.
  • Nov. 2010: added CH2 files; moved D2O files from data section to this section.
  • Aug. 2010: updated HNC, v2 = 0 & 1 files.
  • June 2010: updated and corrected C3H files and documentation according to the catalog entry from March 2009.
  • Jan. 2010: added O2, X 3Σ, v = 0; CH3CN, v = 0; and FSO3. Documentations will follow later.
  • Oct. 2008: added NF2 files with some documentation.
  • Aug. 2008: updated files are available for CH3CCH, v = 0, in a separate folder. The remaining files will be updated in the near future.
  • May 2007: new source codes are available. They have been tested to some extent.
  • Feb. 2007: added SiS.
  • Jan. 2007: added D2O.
  • Sep. 2006: updated CH
  • Sep. 2006: new source codes are available. They have been tested to some extent.
  • June 2006: added HCOCN
  • May 2006: new source codes are available. They have been tested to some extent.
  • Nov. 2005: modified vinylamine files and added documentation.
  • Aug. 2005: added OH+ files; updated HD2+ files;
  • Jan. 2005: added CO files with line uncertainties multiplied by 100.
  • Aug. 2004: updated C3H
  • July 2004: added KCl
  • May 2004: added NH; aGg' ethylene glycol; DCN
  • Apr. 2004: added HD2+ example; new source codes are available
  • Mar. 2004: added NiO example; modified HCP example; added HNC example
  • Sep. 2001: added Ar···SO2 example; new versions of the programs are available;
  • July 2001: new versions of the programs are available
  • Mar. 2001: added ClNO2 example
  • Feb. 2001: some modifications to the documentation for SPFIT/SPCAT including recent alterations made by HMP to the JPL version; includes corrections in the explanation of the coding of the quantum numbers
  • Jan. 2001: added FClO3 example
  • June – Aug. 2000: added some examples
  • June 2000: some basic information concerning the examples is given on the examples page

Cologne Spectroscopy Data

  • Aug. 2012: added files for 13C isotopomers of ethanol (anti conformers).
  • Mar. 2012: added n-butyl cyanide files.
  • June 2011: added TiO2 files.
  • May 2011: added NHD2 files with several auxiliary files.
  • Mar. 2011: added iso-propyl cyanide files.
  • June 2010: updated CCH files.
  • Feb. 2010: added O2, a 1Δ.
  • Jan. 2010: added O2, X 3Σ, v = 0; O18O; 18O2.
  • Dec. 2009: added data for ground states of methyl cyanide isotopologs.
  • Aug. 2009: added diethyl ether.
  • Apr. 2009: added vinyl cyanide.
  • Apr. 2008: added SiS.
  • Feb. 2008: added H2CS.
  • July 2005: added HC15N and new SO2 files.
  • July 2004: added butenyne, C4H4; linked KCl;
  • May 2004: linked NH; added DCN isotopomers; linked aGg' ethylene glycol; added gGg' ethylene glycol;
  • Apr. 2004: linked CCH
  • Mar. 2004: linked HNC
  • June 2003: added HCS+ isotopomers
  • Apr. 2003: OH+; HC13N; t-HC3O; ScCl; Sc37Cl
  • Mar. 2003: NH2OH; H2CO; NCS; ScF
  • Feb. 2003: H13CC13CN; C3, ν2; NaF, v = 0, 1; KF, v = 0, 1; HCN, v = 0; HCN, v2 = 1
  • Jan. 2003: C17O; 13C17O; CH3CCH, v = 0; CH3CCH, v10 = 1; butenyne (C4H4); HCC13C15N; HC13C13CN
  • Sep. 2002: updated HCN, v = 0;
  • Nov. 2001: new and updated entries are available, among them NH2 and PH2.
  • July 2000: updated available entries