Clorosilylidyne
- Formula: ClSi
- Molecular weight: 63.538
- IUPAC Standard InChI: InChI=1S/ClSi/c1-2
- IUPAC Standard InChIKey: SLLGVCUQYRMELA-UHFFFAOYSA-N
- CAS Registry Number: 13966-57-9
- 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 | 47.400 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1976 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 56.838 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1976 |
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 6000. |
|---|---|
| A | 8.856640 |
| B | 0.191926 |
| C | -0.041815 |
| D | 0.006340 |
| E | -0.032411 |
| F | 44.64140 |
| G | 67.31891 |
| H | 47.40019 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in December, 1976 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, 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.
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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| F | F ← X | 45968 H | ||||||||||
| ↳Oldershaw and Robinson, 1971 | ||||||||||||
| F ← X | 46179 H | |||||||||||
| ↳Oldershaw and Robinson, 1971 | ||||||||||||
| E | E ← X | 45169 H | ||||||||||
| ↳Oldershaw and Robinson, 1971 | ||||||||||||
| E ← X | 45375 H | |||||||||||
| ↳Oldershaw and Robinson, 1971 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| D | 44943.9 | 659.4 H | 3.8 | D ↔ X V | 44798.3 H | |||||||
| ↳Jevons, 1936; Oldershaw and Robinson, 1971 | ||||||||||||
| 44943.9 | 659.4 H | 3.8 | D ↔ X V | 45005.8 H | ||||||||
| ↳Jevons, 1936; Oldershaw and Robinson, 1971 | ||||||||||||
| C 2Π | 41177.2 | 674.2 H | 2.20 | [0.2888] 1 | 0.0009 | 2.4E-7 | 1.936 | C ↔ X V | 41039.9 H | |||
| ↳missing citation; Ovcharenko and Kuzyakov, 1966; Oldershaw and Robinson, 1971 | ||||||||||||
| 41165.7 | 674.2 H | 2.20 | [0.2888] 1 | 0.0009 | 2.4E-7 | 1.936 | C ↔ X V | 41235.0 H | ||||
| ↳missing citation; Ovcharenko and Kuzyakov, 1966; Oldershaw and Robinson, 1971 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| B' 2Δ | 35631.0 2 | 511.1 Z | 5.6 | 0.26187 | 0.00243 | [3.59E-7] 3 | 2.0352 | B' ↔ X VR | 35411.25 4 Z | |||
| ↳Thrush, 1960; missing citation; Ovcharenko, Kuzyakov, et al., 1966 | ||||||||||||
| 35631.0 2 | 511.1 Z | 5.6 | 0.26187 | 0.00243 | [3.59E-7] 3 | 2.0352 | B' ↔ X VR | 35617.85 4 Z | ||||
| ↳Thrush, 1960; missing citation; Ovcharenko, Kuzyakov, et al., 1966 | ||||||||||||
| B 2Σ+ | 34108.6 | 706.6 5 H | 3.9 5 | [0.2784] 6 | 0.0017 6 | 1.8E-7 | 1.971 | B ↔ X 7 V | 33987.1 Z | |||
| ↳missing citation; Barrow, Drummond, et al., 1954; Ovcharenko, Tunitskii, et al., 1960; Thrush, 1960; Ovcharenko and Kuzyakov, 1962; Oldershaw and Robinson, 1971; Rai, Singh, et al., 1974 | ||||||||||||
| 34108.6 | 706.6 5 H | 3.9 5 | [0.2784] 6 | 0.0017 6 | 1.8E-7 | 1.971 | B ↔ X 7 V | 34193.6 Z | ||||
| ↳missing citation; Barrow, Drummond, et al., 1954; Ovcharenko, Tunitskii, et al., 1960; Thrush, 1960; Ovcharenko and Kuzyakov, 1962; Oldershaw and Robinson, 1971; Rai, Singh, et al., 1974 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| A 2Σ | 23113.9 | [294.95] Z | 0.73 H | 0.1986 | 0.0007 | [2.9E-7] 8 | 2.337 | A → X R | 22788.0 Z | |||
| ↳missing citation; missing citation | ||||||||||||
| 23113.9 | [294.95] Z | 0.73 H | 0.1986 | 0.0007 | [2.9E-7] 8 | 2.337 | A → X R | 22994.7 Z | ||||
| ↳missing citation; missing citation | ||||||||||||
| X 2Πr | 206.6 9 | 535.60 Z | 2.168 | .0053 | 0.2561 10 | 0.0016 | 2.5E-7 | -9E-9 | 2.058 | |||
| 0 | 535.60 Z | 2.168 | .0053 | 0.2561 10 | 0.0016 | 2.5E-7 | -9E-9 | 2.058 | ||||
Notes
| 1 | From Ovcharenko and Kuzyakov, 1966; rotational analyses of a few additional subbands reported by Pandey, Upadhya, et al., 1971. |
| 2 | A0 = +3.772 [or A0= -2.729 Verma, 1964]. |
| 3 | D1 = 3.90E-7. |
| 4 | The origins refer to the zero-point of the Hill-Van Vleck expression for the upper state and to the hypothetical J"=0 levels in the lower state. |
| 5 | Corrected using calculated head-origin separations Ovcharenko and Kuzyakov, 1962. |
| 6 | Average values of Ovcharenko, Tunitskii, et al., 1960 and Rai, Singh, et al., 1974. See also Cordes and Gehrke, 1966, Mishra and Khanna, 1969. |
| 7 | Franck-Condon factors Singh and Dube, 1971. |
| 8 | D1 = 1.9E-7. |
| 9 | Av= +207.21 - 0.32 v; small J dependent terms have been determined for v=5...10 Singhal and Verma, 1971. |
| 10 | Λ-type doubling Δv(2Π1/2) = 0.005(J+1/2) Singhal and Verma, 1971, Rai, Singh, et al., 1974. |
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]
Oldershaw and Robinson, 1971
Oldershaw, G.A.; Robinson, K.,
Ultraviolet absorption spectrum of silicon monochloride,
J. Mol. Spectrosc., 1971, 38, 306. [all data]
Jevons, 1936
Jevons, W.,
Ultra-violet band-systems of SiCl,
Proc. Phys. Soc. London, 1936, 48, 563. [all data]
Ovcharenko and Kuzyakov, 1966
Ovcharenko, I.E.; Kuzyakov, Yu.Ya.,
Fine structure of bands of the SiCl molecule,
Opt. Spectrosc. Engl. Transl., 1966, 20, 14, In original 30. [all data]
Thrush, 1960
Thrush, B.A.,
Absorption spectra of diatomic radicals containing boron or silicon,
Nature (London), 1960, 186, 1044. [all data]
Ovcharenko, Kuzyakov, et al., 1966
Ovcharenko, N.E.; Kuzyakov, Yu.Ya.; Tatevskii, V.M.,
Bands of the SiCl molecule in the 2770-2830 Å region,
Opt. Spectrosc. Engl. Transl., 1966, 2, 6, In original 12. [all data]
Barrow, Drummond, et al., 1954
Barrow, R.F.; Drummond, G.; Walker, S.,
A note on the ultra-violet band spectra of CCl and SiCl,
Proc. Phys. Soc. London Sect. A, 1954, 67, 186. [all data]
Ovcharenko, Tunitskii, et al., 1960
Ovcharenko, I.E.; Tunitskii, L.N.; Yakutin, V.I.,
Analysis of the fine structure in the bands of the SiCl molecule,
Opt. Spectrosc. Engl. Transl., 1960, 8, 393. [all data]
Ovcharenko and Kuzyakov, 1962
Ovcharenko, I.E.; Kuzyakov, Y.Y.,
The bands of the SiCl molecule in the region 3220-2735 Å,
Opt. Spectrosc. Engl. Transl., 1962, 13, 362, In original 635. [all data]
Rai, Singh, et al., 1974
Rai, S.B.; Singh, J.; Upadhya, K.N.; Rai, D.K.,
Fine structure in the B-X system of SiCl,
J. Phys. B:, 1974, 7, 415. [all data]
Pandey, Upadhya, et al., 1971
Pandey, R.K.; Upadhya, K.N.; Nair, K.P.R.,
Rotational structure of the C-X band system of SiCl molecule,
Indian J. Pure Appl. Phys., 1971, 9, 36. [all data]
Verma, 1964
Verma, R.D.,
A 2Δ-2δΠ transition of SiCl,
Can. J. Phys., 1964, 42, 2345. [all data]
Cordes and Gehrke, 1966
Cordes, H.; Gehrke, F.,
Das ultraviolette Absorptionsspektrum des Bleimonochlorids,
Z. Phys. Chem. (Neue Folge), 1966, 51, 281. [all data]
Mishra and Khanna, 1969
Mishra, R.K.; Khanna, B.N.,
On B-X system of SiCl molecule,
Curr. Sci., 1969, 38, 361. [all data]
Singh and Dube, 1971
Singh, J.; Dube, P.S.,
On the variation of electronic transition moment with the internuclear separation in SiCl & SnF molecules,
Indian J. Pure Appl. Phys., 1971, 9, 164. [all data]
Singhal and Verma, 1971
Singhal, S.R.; Verma, R.D.,
Rotational analysis of the A-X system of the SiCl molecule,
Can. J. Phys., 1971, 49, 407. [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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