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Table 1:

Experimentally determined spectroscopic parametersa (cm-1, MHz) of methylidynium, 12CH+ in its $X\ ^1\Sigma ^+$ and $A\ ^1\Pi $ electronic states from a global fit involving four isotopologs.
Parameter Value

$X\ ^1\Sigma ^+$
$U_{10} \mu ^{-1/2}$ 2 860.387 (22)
$U_{10} \mu ^{-1/2}{\it\Delta} ^{\rm C} _{10} m_{\rm e}/M_{\rm C}$ -0.147 (18)
$U_{10} \mu ^{-1/2}{\it\Delta} ^{\rm H} _{10} m_{\rm e}/M_{\rm H}$ -2.672 (13)
$U_{20} \mu ^{-1}$ -59.369 7 (61)
$U_{20} \mu ^{-1}{\it\Delta} ^{\rm H} _{20} m_{\rm e}/M_{\rm H}$ 0.051 0 (62)
Y30 0.225 46 (106)
$U_{01} \mu ^{-1}$ 427 360.68 (121)
$U_{01} \mu ^{-1}{\it\Delta} ^{\rm C} _{01} m_{\rm e}/M_{\rm C}$ -155.80 (21)
$U_{01} \mu ^{-1}{\it\Delta} ^{\rm H} _{01} m_{\rm e}/M_{\rm H}$ -2 146.22 (177)
$U_{11} \mu ^{-3/2}$ -14 917.7 (57)
$U_{11} \mu ^{-3/2}{\it\Delta} ^{\rm H} _{11} m_{\rm e}/M_{\rm H}$ 58.6 (27)
Y21 91.8 (41)
Y31 -3.84 (66)
$U_{02} \mu ^{-2}$ -42.468 (21)
$U_{02} \mu ^{-2}{\it\Delta} ^{\rm H} _{02} m_{\rm e}/M_{\rm H}$ 0.563 (20)
Y12 0.960 (34)
Y22 -0.045 (10)
$Y_{03} \times 10^3$ 4.264 (86)
$Y_{13} \times 10^3$ -0.726 (53)
$Y_{04} \times 10^6$c -0.4
C(13C) 1.091 (28)

$A\ ^1\Pi $
U00(H)b 23 639.326 (23)
$U_{00}{\it\Delta} ^{\rm C} _{10} m_{\rm e}/M_{\rm C}$(H)b -19.620 (24)
U00(D)b 23 786.537 (24)
$U_{00}{\it\Delta} ^{\rm C} _{10} m_{\rm e}/M_{\rm C}$(D)b -26.436 (26)
$U_{10} \mu _c^{-1/2}$(H) 1 864.379 (14)
$U_{10} \mu _c^{-1/2}{\it\Delta} ^{\rm C} _{10} m_{\rm e}/M_{\rm C}$(H) 0.106 (12)
$U_{10} \mu _c^{-1/2}$(D) 1 367.473 (17)
$U_{10} \mu _c^{-1/2}{\it\Delta} ^{\rm C} _{10} m_{\rm e}/M_{\rm C}$(D) -0.180 (19)
Y20(H) -115.884 7 (48)
Y20(D) -60.815 4 (47)
Y30(H) 2.639 48 (85)
Y30(D) 0.776 92 (78)
$U_{01} \mu _c^{-1}$ 356 717.5 (63)
$U_{01} \mu _c^{-1}{\it\Delta} ^{\rm C} _{01} m_{\rm e}/M_{\rm C}$ -9.2 (53)
$U_{01} \mu _c^{-1}{\it\Delta} ^{\rm H} _{01} m_{\rm e}/M_{\rm H}$ -316.4 (24)
$U_{11} \mu _c^{-3/2}$ -27 562.7 (70)
$U_{11} \mu _c^{-3/2}{\it\Delta} ^{\rm H} _{11} m_{\rm e}/M_{\rm H}$ 24.06 (147)
Y21 -634.8 (49)
Y31 137.76 (95)
Y02 -58.166 (26)
Y12 -2.502 (61)
Y22 -0.252 (44)
Y32 0.149 3 (87)
$Y_{03} \times 10^3$ -0.876 (84)
$Y_{13} \times 10^3$ -0.911 (63)
q00 1 234.25 (108)
q10 -96.53 (82)
q01 -0.643 6 (98)
q11 -0.020 3 (79)

Notes. (a) The vibrational parameters Yi0 as well as related parameters are given in cm-1; all other Yij as well as related parameters are given in MHz. Numbers in parentheses are one standard deviation in units of the least significant figures. (b) Determined with respect to the lowest allowed energy levels of each electronic state. (c) Estimated, see text.


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