NIST Triatomic: ClCN

ClCN

Rotational Constants

Isotopic Species	Vib. State υ₁ υ₂^ℓ υ₃	B_ν [MHz]	D_ν (kHz)	Ref.
³⁵Cl¹²C¹⁴N	0 0⁰ 0	5970.840(16)	1.663	65009, 56005
	0 1^1c 0	5983.442	1.680	65009
	0 1^1d 0	5990.903	1.687
	0 0⁰ 1	5970.84(5)
	0 2⁰ 0	5978.76
	0 2² 0	6003.38
³⁷Cl¹²C¹⁴N	0 0⁰ 0	5847.258(14)	1.608	65009, 56005
	0 1^1c 0	5859.655	1.618	65009
	0 1^1d 0	5866.831	1.652
	0 0⁰ 1	5844.65
	0 2⁰ 0	5857.95
	0 2² 0	5879.15
³⁵Cl¹³C¹⁴N	0 0⁰ 0	5939.775(30)		48002
³⁷Cl¹³C¹⁴N	0 0⁰ 0	5814.705(30)		48002
³⁵Cl¹²C¹⁵N	0 0⁰ 0	5748.061(30)		63005
³⁷Cl¹²C¹⁵N	0 0⁰ 0	5626.425(30)		63005

	³⁵Cl¹²C¹⁴N	³⁷Cl¹²C¹⁴N	Ref.
B_e [MHz]	5982.96(8)	5859.02(12)	65009
q_v [MHz]	7.467 532(16) ^a	7.17₆	76035, 65009
a₁ [MHz]	32.15(6)	31.60(11)	65009
a₁ [MHz]	-16.33(2)	-15.99(2)	56005
a₃ [MHz]	24.74(5)	23.90(2)	65009

^a In reference [76035] the rotational dependence of q_ν is given as -0.0183(15) J(J + 1) kHz.

Ground State Hyperfine Constants and Dipole Moment for ClCN
Parameter	³⁵Cl¹²C¹⁴N	³⁷Cl¹²C¹⁴N	³⁵Cl¹²C¹⁵N ground	³⁵Cl¹²C¹⁵N ν₂ = 1
eQq (Cl) [MHz]	-83.275 19(40)	-65.82(16)	-83.280(20)	-82.825(15)
c (Cl) (kHz)	1.706(45)		3.5(6)	3.5(6)
eQq (N) [MHz]	-3.622 77(90)	-3.55(22)
c (N) (kHz)	1.32(18)
µ [C · m] µ [D]	9.450 27(50) x 10^-30 2.833 12(15)
Reference	76035	65009	55005	55005

Hyperfine Constants and Dipole Moment
for ν₂ = 1 of ³⁵ClCN
Parameter	³⁵Cl¹²C¹⁴N	Ref.
eQq (³⁵Cl) [MHz]	-82.815 54(55)	76035
eQq η (³⁵Cl) [MHz]	-0.927 84(49)
c_⊥ (³⁵Cl) (kHz)	1.695(48)
c_\|\| - c_⊥ (³⁵Cl) (kHz)	7.38(35)
eQq (¹⁴N) [MHz]	-3.702 19(40)
eQq η (¹⁴N) [MHz]	0.256 00(41)
c_⊥ (¹⁴N) (kHz)	1.243(67)
c_\|\| - c_⊥ (¹⁴N) (kHz)	2.20(53)
µ_(0,1,0) [C · m] µ_(0,1,0) [D]	9.353(10) x 10^-30 2.804(3)

Zeeman Parameters for ClCN
Parameter	³⁵Cl¹²C¹⁵N	³⁷Cl¹²C¹⁵N	³⁵Cl¹²C¹⁴N	Ref.
g_I (1-σ) (µ_N)	0.5476(10)	0.4549(10)		72011
g_⊥ (µ_N)	-0.0385(2)	-0.0379(2)	-0.041 21(13) ^a
χ_⊥ - χ_\|\| (10^-6 erg/G² · mol)	10.8(5)	10.8(5)	11.10(12) ^a
Q_\|\| (10^-26 esu · cm²)	-3.87(100)	-4.01(110)
a² - c² (10^-16 · cm²)	-42.7(2)	-42.3(2)

^a Reference [76035].
Additional references: [47003], [47004], [47005], and [51002].

NIST Physical Measurement Laboratory