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Table 1.

Spectroscopic parameters Xa (MHz) and their differences ΔXb (MHz) of cyanamide isotopologs.

Parameter NCN H2NC15N H2N13CN H2NCN
ΔE 1460174. (120) 1486116. (118) 1486522. (66) 1486004.275 (185)
Fac 342.505 (46) 335.828 (47) 345.963 (59) 346.5304 (245)
−1.442 −1.415 −1.457 −1.4577 (40)
1.2756 (113) 1.1048 (119) 1.2514 (108) 1.2009 (89)
−48.69 −47.52 −50.54 −50.57 (155)
10.64 10.32 11.34 11.36 (48)
A 307819.7 (241) 308328.7 (239) 308205.1 (122) 308298.054 (66)
ΔA/2 −3838.00 −3844.35 −3842.81 −3843.971 (33)
B 9845.11174 (75) 9794.54528 (82) 10117.07868 (93) 10121.205258 (188)
ΔB/2 −8.74933 (71) −8.09439 (79) −8.56394 (93) −8.551540 (113)
C 9604.18856 (76) 9555.59774 (79) 9862.34933 (114) 9866.291773 (186)
ΔC/2 −0.28904 (77) −0.26534 (81) −0.35051 (110) −0.368180 (109)
DK 36.036 36.110 36.070 36.0421 (44)
ΔDK/2 −8.084 −8.101 −8.092 −8.0857 (33)
DJK × 103 368.428 (80) 357.939( 80) 377.325 (101) 377.705 (40)
ΔDJK/2 × 103 −19.239 (44) −17.766 (42) −18.097 (83) −18.494 (26)
DJ × 103 3.59457 (39) 3.50397 (38) 3.75968 (31) 3.759689 (180)
ΔDJ/2 × 103 0.01490 (34) 0.01741 (32) 0.01813 (26) 0.018511 (49)
d1 × 106 −126.84 (48) −117.29 (49) −129.70 (36) −130.2699 (176)
Δd1/2 × 106 8.89 (47) 9.37 (49) 10.88 (36) 10.5633 (225)
d2 × 106 −25.100 (283) −23.484 (304) −27.739 (219) −27.2965 (45)
Δd2/2 × 106 4.931 (150) 4.062 (206) 5.516 (165) 5.2987 (43)
HK × 103 10.76 10.79 10.77 10.760 (84)
ΔHK/2 × 103 −6.45 −6.47 −6.46 −6.453 (78)
HKJ × 106 −219.2 (50) −267.7 (48) −196.2 (45) −264.41 (234)
ΔHKJ/2 × 106 71.6 (12) 70.6 (10) 82.3 (7) 73.64 (180)
HJK × 106 0.889 (73) 1.115 (70) 0.945 (44) 1.0798 (167)
ΔHJK/2 × 106 −0.250 (27) −0.268 (23) −0.297 (11) −0.2879 (65)
HJ × 109 −0.761 −0.750 −0.825 −0.826 (77)
ΔHJ/2 × 109 0.189 0.186 0.204 0.205 (9)
LK × 106 16.00 16.07 16.04 16.01
ΔLK/2 × 106 −5.31 −5.34 −5.32 −5.32
LKKJ × 106 −4.118 (88) −3.439 (82) −5.800 (54) −3.681 (46)
ΔLKKJ/2 × 106 0.343 0.343 0.353 0.353 (39)
LJK × 109 17.78 (223) 10.10 (199) 17.44 (94) 12.47 (42)
rms 0.040 0.037 0.043 0.098
σb 0.82 0.86 0.98 0.94

Notes. Watson’s S reduction has been used in the representation Ir.

(a)

Numbers in parentheses are one standard deviation in units of the least significant figures. Parameters without uncertainties were estimated and kept fixed in the analyses. X = (X(0+)+X(0))/2 and ΔX = X(0)−X(0+).

(b)

Reduced standard deviation (unitless).

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