Tantalum monoxide

Formula: OTa
Molecular weight: 196.9473
IUPAC Standard InChI: InChI=1S/O.Ta/q-2;+2
IUPAC Standard InChIKey: JMOHEPRYPIIZQU-UHFFFAOYSA-N
CAS Registry Number: 12035-90-4
Chemical structure:
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Constants of diatomic molecules

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through June, 1975

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	internuclear distance (Å)
Trans.	observed transition(s) corresponding to electronic state
ν₀₀	position of 0-0 band (units noted in table)

Diatomic constants for ¹⁸¹Ta¹⁶O
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
Weak emission bands at 35476 and 36379 cm^-1, no analysis.
↳Cheetham and Barrow, 1967
V (²Δ)_5/2					[0.375] 1 2			[3.3E-7]		[1.74₉]	V → X₂ R	(33280) 1 (Z)
V (²Δ)_5/2	↳Cheetham and Barrow, 1967
U (²Δ)_5/2					[0.3715] 2			[3.3E-7]		[1.757₂]	U → X₂ R	(33110) (Z)
U (²Δ)_5/2	↳Cheetham and Barrow, 1967
T (²Δ)_5/2	35954	(891)			[0.37688] 3			[2.70E-7]		[1.7446₁]	T → X₂ R	32380.7₇ Z
T (²Δ)_5/2	↳Cheetham and Barrow, 1967
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
S (²Δ)_5/2	35864	(871)			[0.37536] 3			[2.79E-7]		[1.7481₄]	S → X₂ R	32280.4₀ Z
S (²Δ)_5/2	↳Cheetham and Barrow, 1967
R (²Δ)_3/2	32445	(885)			[0.38393] 3			[2.89E-7] 4		[1.7285₂]	R → X₁ R	32373.60 Z
R (²Δ)_3/2	↳Cheetham and Barrow, 1967
Q	(29306)	[(895)] 5									Q ← X₁	(29240) 5
Q	↳Weltner and McLeod, 1965
Q' (²Δ)_5/2	27353.0	[896.1] Z	(4.07)		0.38183₄ 6	0.00219		[2.744E-7]		1.73326	Q' → X₂ R	23785.2₀ Z
Q' (²Δ)_5/2	↳Cheetham and Barrow, 1967
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
P (²Δ)_3/2	26736.19	902.68 Z	4.08		0.37750₀ 7	0.00181		[2.573E-7]		1.74318	P ↔ X₁ R	26673.04 Z
P (²Δ)_3/2	↳Premaswarup, 1955; missing citation; Premaswarup and Barrow, 1957; Weltner and McLeod, 1965; Cheetham and Barrow, 1967
O	(26342)	(913) 5	(4.5)								O ← X₁	(26284) 5
O	↳Weltner and McLeod, 1965
O' (²Φ)_7/2	26186	(899)			[0.381304]			[2.745E-7]		[1.73446₂]	O' → X₁ R	22616.0₇ Z
O' (²Φ)_7/2	↳Cheetham and Barrow, 1967
N (²Π)_3/2	25657	(900)			[0.37720₇]			[2.649E-₇]		[1.74386]	N → X₂ R	22087.7₀ Z
	↳Cheetham and Barrow, 1967
											N ↔ X₁ R	25593.1₃ Z
	↳Weltner and McLeod, 1965; Cheetham and Barrow, 1967
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
M (²Φ)_5/2	24123.7	[890.31] Z	4.1 H		0.37706₄	0.00184		[2.635E-7]		1.74419	M ↔ X₁ R	24058.42 Z
M (²Φ)_5/2	↳missing citation; Premaswarup and Barrow, 1957; Weltner and McLeod, 1965; Cheetham and Barrow, 1967
L (²Π)_1/2	23408.3	[887.70] Z	4.1 H		0.37742₄ 8	0.00195		[2.706E-₇]		1.74335	L ↔ X₁ R	23341.74 Z
L (²Π)_1/2	↳missing citation; Premaswarup and Barrow, 1957; Weltner and McLeod, 1965; Cheetham and Barrow, 1967
K' (²Φ)_7/2	22981.5₈	903.06 Z	3.56		0.38081	0.00192		[2.756E-7]		1.7355₉	K' → X₂ R	19413.32 Z
	↳Cheetham and Barrow, 1967
	(22396)	(901.₇) 5	(3.3₄)								K ↔ X₁	(22333) 5
	↳Weltner and McLeod, 1965
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
J	(22196)	(892) 5	(3)								J ← X₁	(22128) 5
J	↳Weltner and McLeod, 1965
(I)	Ne matrix emission and absorption spectra suggest the existance of an additional state close to H.
(I)	↳Weltner and McLeod, 1965
H	(20868)	[(900)] 9									H ↔ X₁	(20805) 9
H	↳Weltner and McLeod, 1965
G											G ← X₁	(18007) 5
G	↳Weltner and McLeod, 1965
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
F	(16770)	[(922)] 5									F ← X₁	(16718) 5
F	↳Weltner and McLeod, 1965
F 10											R	16051 Z
F 10	↳Cheetham and Barrow, 1967
E (²Φ)_5/2	15928	(935) 5	(5)		[0.38618] 11			[3.26E-₇]		[1.7234₈]	E ↔ X₁ R	15880.6₂ Z
E (²Φ)_5/2	↳Weltner and McLeod, 1965; Cheetham and Barrow, 1967
D	(14437)	(943) 12									D ↔ X₁	(14395) 5 13
D	↳Weltner and McLeod, 1965; Cheetham and Barrow, 1967
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
C (²Δ)_3/2	13612	(942)			[0.38754₇]			[2.624E-₇]		[1.72044]	C ↔ X₁ R	13569.27 Z
C (²Δ)_3/2	↳Weltner and McLeod, 1965; Cheetham and Barrow, 1967
B (²Φ)_5/2	12900	(931)			[0.38685₁]			[2.674E-₇]		[1.72198]	B ↔ X₁ R	12852.02 Z
B (²Φ)_5/2	↳Weltner and McLeod, 1965; Cheetham and Barrow, 1967
A	(12134)	[(939)] 14									A ↔ X₁	(12090) 15
A	↳Weltner and McLeod, 1965; Cheetham and Barrow, 1967
A' (²Π)_1/2					[0.389]					[1.71₇]	A' → X₁ R	(11062) (Z)
A' (²Π)_1/2	↳Cheetham and Barrow, 1967
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
A" (²Δ)_3/2	10908	(933)			[0.38729₁]			[2.668E-₇]		[1.72100]	A" → X₁ R	10860.95 Z
A" (²Δ)_3/2	↳Cheetham and Barrow, 1967
X₂ (²Δ)_5/2	3504.39	1030.81 Z	3.59		0.40358₄	0.00187		[2.503E-7]		1.68591
X₁ (²Δ)_3/2	0	1028.69 Z	3.51		0.40284₀	0.00182		[2.450E-7]		1.68746 16
X₁ (²Δ)_3/2	↳Weltner and McLeod, 1965

Notes

This level could possibly be T(v=1).

Extensive perturbations.

Perturbations.

Cheetham and Barrow, 1967 give 2.289 which appears to be a misprint.

From the Ne matrix absorption spectrum.

Perturbations in v=0.

v=1 perturbed by a state of higher B value.

Λ-type doubling Δv(v=0) = 0.0927(J+1/2).

From Ne matrix absorption and emission spectra.

Incompletely analysed emission band.

Perturbed by a state of larger B value.

Calculated from Ta¹⁸O frequency in neon.

In the gas phase probably at 14362 cm^-1.

From the Ar matrix absorption spectrum.

From Cheetham and Barrow, 1967; the observed band is too weak for analysis.

IR spectrum 18

Average of two thermochemical values (mass-spectrometry). Inghram, Chupka, et al., 1957, Krikorian and Carpenter, 1965

In rare gas matrices.

References

Go To: Top, Constants of diatomic molecules, Notes

Cheetham and Barrow, 1967
Cheetham, C.J.; Barrow, R.F., Rotational analysis of electronic bands of gaseous TaO, Trans. Faraday Soc., 1967, 63, 1835. [all data]

Weltner and McLeod, 1965
Weltner, W., Jr.; McLeod, D., Jr., Spectroscopy of TaO and TaO2 in Neon and Argon Matrices at 4° and 20°K, J. Chem. Phys., 1965, 42, 3, 882, https://doi.org/10.1063/1.1696076 . [all data]

Premaswarup, 1955
Premaswarup, D., Vibrational analysis of the tantalum oxide bands, Indian J. Phys., 1955, 29, 109. [all data]

Premaswarup and Barrow, 1957
Premaswarup, D.; Barrow, R.F., Rotational analysis of the tantalum oxide bands, Nature (London), 1957, 180, 602. [all data]

Inghram, Chupka, et al., 1957
Inghram, M.G.; Chupka, W.A.; Berkowitz, J., Thermodynamics of the Ta-O system: the dissociation energies of TaO and TaO₂, J. Chem. Phys., 1957, 27, 569. [all data]

Krikorian and Carpenter, 1965
Krikorian, O.H.; Carpenter, J.H., Enthalpies of formation of gaseous tantalum oxide and tantalum dioxide, J. Phys. Chem., 1965, 69, 4399. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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