silicon nitride
- Formula: NSi
- Molecular weight: 42.0922
- IUPAC Standard InChIKey: NCLWWTWAYQTPBU-UHFFFAOYSA-N
- CAS Registry Number: 12033-60-2
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Constants of diatomic molecules, NIST Free Links, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 89.001 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1967 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 51.819 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1967 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1400. | 1400. to 6000. |
---|---|---|
A | 5.419941 | 5.292790 |
B | 7.151231 | 3.761611 |
C | -5.667042 | -0.856061 |
D | 1.750170 | 0.061858 |
E | 0.009936 | 0.070821 |
F | 87.14620 | 87.90920 |
G | 56.53810 | 58.17051 |
H | 89.00010 | 89.00010 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in March, 1967 | Data last reviewed in March, 1967 |
Constants of diatomic molecules
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Klaus P. Huber and Gerhard H. Herzberg
Data collected through September, 1977
Symbol | Meaning |
---|---|
State | electronic state and / or symmetry symbol |
Te | minimum electronic energy (cm-1) |
ωe | vibrational constant – first term (cm-1) |
ωexe | vibrational constant – second term (cm-1) |
ωeye | vibrational constant – third term (cm-1) |
Be | rotational constant in equilibrium position (cm-1) |
αe | rotational constant – first term (cm-1) |
γe | rotation-vibration interaction constant (cm-1) |
De | centrifugal distortion constant (cm-1) |
βe | rotational constant – first term, centrifugal force (cm-1) |
re | internuclear distance (Å) |
Trans. | observed transition(s) corresponding to electronic state |
ν00 | position of 0-0 band (units noted in table) |
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
---|---|---|---|---|---|---|---|---|---|---|---|---|
The emitter of the woods band at 26017 cm-1 Woods, 1943 has been shown Singh, Bredohl, et al., 1973 to be SiO+ and not SiN as suggested by Dunn, Rao, et al., 1969. | ||||||||||||
L 2Πi | a+(32661) 1 | [718] 2 H | [0.549] 2 | [1.814] 2 | L → A R | 32491 2 H | ||||||
↳Bredohl, Dubois, et al., 1976 | ||||||||||||
32508 2 H | ||||||||||||
D 2Πi | a+27865.6 3 | 699.33 Z | 3.48 | 0.5238 4 | 0.0041 | 1.0E-6 | 1.8571 | D → A R | 27693.8 Z | |||
↳Mulliken, 1925; Schofield and Broida, 1965; Linton, 1975; missing citation | ||||||||||||
K 2Σ | a+25718.2 | 1142 2 Z | 11.5 | 0.6775 2 | 0.005 | 1.633 2 | K → A V | 25765.7 2 Z | ||||
↳missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
B 2Σ+ | 24299.21 | 1031.03 Z | 16.85 5 | 0.15 | 0.7238 6 7 8 | 0.01048 | 1.5E-6 | 1.5798 | B ↔ X 9 R | 24236.47 Z | ||
↳Mulliken, 1925; missing citation; Thrush, 1960; Dunn and Dunn, 1972; Bredohl, Dubois, et al., 1976 | ||||||||||||
A 2Πi | a 10 11 | 1044.41 Z | 6.20 | -0.011 | 0.67516 | 0.00538 | 1.10E-6 | 1.63570 | ||||
X 2Σ+ | 0 | 1151.36 Z | 6.47 | -0.007 | 0.7311 12 13 8 | 0.00565 | 1.2E-6 | 1.5719 |
Notes
1 | A ~ -72. |
2 | Vibrational numbering unknown; the lowest observed level is arbitrarily assumed to have v=0. |
3 | The observed spin-orbit coupling constants vary from A3 = -60.42 to A7 = -63.49 Bredohl, Dubois, et al., 1976. |
4 | Perturbations in v=3 by a Σ state Linton, 1975, Bredohl, Dubois, et al., 1976. |
5 | ωeze = -0.011. |
6 | Singh, Bredohl, et al., 1973 give the spin splitting constant γ0 = +0.0020 but Bredohl, Dubois, et al., 1976 change this to - 0.0034. |
7 | Numerous perturbations; for a summary see Bredohl, Dubois, et al., 1976. |
8 | Potential curves Singh and Rai, 1966, see also Bredohl, Dubois, et al., 1976. |
9 | missing note |
10 | Bredohl, Dubois, et al., 1976 estimate a ~ 8000. |
11 | The observed spin-orbit coupling constants [A1...A5 Bredohl, Dubois, et al., 1976] are approximately given by Av = -89.54 + 0.27(v+1/2). |
12 | Singh, Bredohl, et al., 1973 give the spin splitting constant γ0 = 0.0153 [see also Dunn, Rao, et al., 1969, Dunn and Dunn, 1972] but Bredohl, Dubois, et al., 1976 change this to -0.0172. |
13 | A small perturbation in v=8 probably arises from interaction with A 2Π Bredohl, Dubois, et al., 1976. |
14 | The 0-0 sequence was wrongly attributed to Si0+ by Nagaraj and Verma, 1968, see the correction by Dunn, Rao, et al., 1969. Measured relative intensities, Franck-Condon factors, r dependence of the transition moment Stevens and Ferguson, 1963, Gohel and Shah, 1975. |
References
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Woods, 1943
Woods, L.H.,
On the silicon oxide bands,
Phys. Rev., 1943, 63, 426. [all data]
Singh, Bredohl, et al., 1973
Singh, M.; Bredohl, H.; Remy, Fr.; Dubois, I.,
The spectrum of SiO+ and SiN,
J. Phys. B:, 1973, 6, 2656. [all data]
Dunn, Rao, et al., 1969
Dunn, T.M.; Rao, K.M.; Nagaraj, S.; Verma, R.D.,
New spectrum of the SiO+ molecule -- a correction,
Can. J. Phys., 1969, 47, 2128. [all data]
Bredohl, Dubois, et al., 1976
Bredohl, H.; Dubois, I.; Houbrechts, Y.; Singh, M.,
The emission spectrum of SiN,
Can. J. Phys., 1976, 54, 680-688. [all data]
Mulliken, 1925
Mulliken, R.S.,
The isotope effect in band spectra, IV: the spectrum of silicon nitride,
Phys. Rev., 1925, 26, 319-338. [all data]
Schofield and Broida, 1965
Schofield, K.; Broida, H.P.,
Chemiluminescent emission from the reactions of volatile silicon compounds and active nitrogen,
Photochem. Photobiol., 1965, 4, 989-1002. [all data]
Linton, 1975
Linton, C.,
Rotational analysis of some "Mulliken" (D2Π - A2Π) bands of the SiN molecule,
J. Mol. Spectrosc., 1975, 55, 108-119. [all data]
Thrush, 1960
Thrush, B.A.,
Absorption spectra of diatomic radicals containing boron or silicon,
Nature (London), 1960, 186, 1044. [all data]
Dunn and Dunn, 1972
Dunn, E.M.; Dunn, T.M.,
Violet electronic emission of SiN,
Can. J. Phys., 1972, 50, 860-861. [all data]
Singh and Rai, 1966
Singh, R.B.; Rai, D.K.,
Potential curves for some diatomic molecules: P2, PN, SiN, NBr, BaO, BeF, SiF & SnF,
Indian J. Pure Appl. Phys., 1966, 4, 102. [all data]
Nagaraj and Verma, 1968
Nagaraj, S.; Verma, R.D.,
New spectrum of the SiO+ molecule,
Can. J. Phys., 1968, 46, 1597. [all data]
Stevens and Ferguson, 1963
Stevens, A.E.; Ferguson, H.I.S.,
Photoelectric intensity measurements upon bands of the SiN (B2Σ+-X2Σ) spectrum,
Can. J. Phys., 1963, 41, 240-245. [all data]
Gohel and Shah, 1975
Gohel, V.B.; Shah, N.P.,
Realistic FC factors, r - centroids & related integrals for B-X band system of SiN,
Indian J. Pure Appl. Phys., 1975, 13, 3, 162-165. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, NIST Free Links, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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