Nickel monochloride
- Formula: ClNi
- Molecular weight: 94.146
- IUPAC Standard InChIKey: GGVOVPORYPQPCE-UHFFFAOYSA-M
- CAS Registry Number: 13931-83-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Nickel chloride
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, 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 | 43.499 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1977 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 60.201 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1977 |
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 1900. | 1900. to 6000. |
---|---|---|
A | 7.524479 | -1.713011 |
B | 5.057391 | 6.622790 |
C | -3.896731 | -1.068511 |
D | 1.006790 | 0.058536 |
E | -0.022165 | 9.180390 |
F | 40.99020 | 57.18511 |
G | 67.83870 | 69.13291 |
H | 43.50000 | 43.50000 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in September, 1977 | Data last reviewed in September, 1977 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to ClNi+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.4 ± 0.5 | EI | McKinley, 1964 | RDSH |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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 March, 1975
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|
Large number of R shaded emission bands in the regions 11000 - 15000 and 18000 - 26000 cm-1. The ground state has not been identified and all assignments must be considered as preliminary. | ||||||||||||
System A1: | 24623.7 | 394.5 HQ | 0.35 1 | R | 24613.4 HQ | |||||||
↳More, 1938; missing citation | ||||||||||||
System A2: 2 | R | 24411.6 HQ | ||||||||||
↳More, 1938; Mesnage, 1939; missing citation | ||||||||||||
System A3: | 24138.3 | 380 H 3 | R | 24129.8 H | ||||||||
↳More, 1938; missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
System B1: | 23347.1 | 375 H 4 | R | 23333.6 H | ||||||||
↳Reddy and Rao, 1960 | ||||||||||||
System B2: | 23233.1 | 406.6 H | 2.75 5 | R | 23223.0 H | |||||||
↳More, 1938; Mesnage, 1939; missing citation | ||||||||||||
System C: | 22749.0 | 397.8 HQ | 0.75 6 | R | 22738.8 HQ | |||||||
↳More, 1938; Mesnage, 1939; missing citation | ||||||||||||
System D: | 21914.7 | 398 HQ 7 | R | 21905.2 HQ | ||||||||
↳missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
System E1: | 21762.2 | 405.2 H | 1.3 8 | R | 21747.3 H | |||||||
↳missing citation | ||||||||||||
System E2: | 21649.4 | 383.1 HQ 9 | R | 21639.4 HQ | ||||||||
↳missing citation | ||||||||||||
System I: | 20545.3 | 409.6 HQ | 0.80 10 | 20534.4 HQ | ||||||||
↳Rao and Rao, 1969 | ||||||||||||
System II: | 20284.2 | 382.8 HQ 11 | R | 20264.0 HQ | ||||||||
↳Rao and Rao, 1969 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
System III: | 19980.1 | 403.6 HQ | 0.05 12 | 19967.0 HQ | ||||||||
↳Rao and Rao, 1969 | ||||||||||||
System IV: | 18689.4 | 412.6 H | 1.60 13 | R | 18679.1 H | |||||||
↳Rao and Rao, 1969 | ||||||||||||
System F: | 14441.2 | 407.2 H | 2.5 14 | R | 14434.2 H | |||||||
↳Rao, Reddy, et al., 1962 | ||||||||||||
System G: | 12976.5 | 395.0 H | 1.55 15 | R | 12961.6 H | |||||||
↳Rao, Reddy, et al., 1962 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
System H: | 12276.8 | 416.0 HQ 16 | R | 12270.8 HQ | ||||||||
↳Rao, Reddy, et al., 1962 | ||||||||||||
System I: | 11913.1 | 395.0 H | 1.40 17 | R | 11909.3 H | |||||||
↳Rao, Reddy, et al., 1962 | ||||||||||||
System J: | 11511.3 | 398.7 HQ | 1.45 18 | R | 11508.0 HQ | |||||||
↳Rao, Reddy, et al., 1962 |
Notes
1 | ω"e = 415.5 ω"ex"e = 1.3 20 |
2 | 0-0 sequence only. 25 |
3 | ω"e = 397 21 |
4 | ω"e = 402 22 |
5 | ω"e = 426.3 ω"ex"e = 1.9 23 |
6 | ω"e = 418.2 ω"ex"e = 0.70 24 |
7 | ω"e = 417 25 |
8 | ω"e = 435.3 ω"ex"e = 1.85 25 |
9 | ω"e = 404.0 ω"ex"e = 1.65 25 |
10 | ω"e = 431.1 ω"ex"e = 0.20 $TRANS R |
11 | ω"e = 423.9 ω"ex"e = 1.35 |
12 | ω"e = 430.0 ω"ex"e = 0.30 $TRANS R |
13 | ω"e = 433.2 ω"ex"e = 1.65 |
14 | ω"e = 420 26 |
15 | ω"e = 424 |
16 | ω"e = 428 |
17 | ω"e = 402 |
18 | ω"e = 405.2 ω"ex"e = 1.15 |
19 | Thermochemical value (flame photometry.) Bulewicz, Phillips, et al., 1961. |
20 | System 4 of More, 1938. Alternative assignments in Krishnamurty, 1952. |
21 | System 3 of More, 1938. Alternative assignments in Mesnage, 1939, Krishnamurty, 1952. |
22 | Alternative assignments in Mesnage, 1939, Krishnamurty, 1952. |
23 | System 2 of More, 1938. Alternative assignments in Krishnamurty, 1952. |
24 | System 1 of More, 1938. Alternative assignments in Krishnamurty, 1952. |
25 | Alternative assignments in Krishnamurty, 1952. |
26 | Results of a rotational analysis in Rao and Rao, 1969. Uncertain. |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, 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]
McKinley, 1964
McKinley, J.D.,
Mass-spectrometric investigation of the high-temperature reaction between nickel and chlorine,
J. Chem. Phys., 1964, 40, 120. [all data]
More, 1938
More, K.R.,
Spectra of the monochlorides of nickel, cobalt and iron,
Phys. Rev., 1938, 54, 122. [all data]
Mesnage, 1939
Mesnage, P.,
Recherches sur les decharges de haute frequence et leur application a la spectroscopie moleculaire,
Ann. Phys. (Paris), 1939, 12, 5. [all data]
Reddy and Rao, 1960
Reddy, S.P.; Rao, P.T.,
The band spectra of NiCl and NiBr in the visible,
Proc. Phys. Soc. London, 1960, 75, 275. [all data]
Rao and Rao, 1969
Rao, N.V.K.; Rao, P.T.,
The emission spectrum of nickel monochloride,
Curr. Sci., 1969, 38, 589. [all data]
Rao, Reddy, et al., 1962
Rao, S.V.K.; Reddy, S.P.; Rao, P.T.,
New band systems of NiCl in the photographic infrared,
Z. Phys., 1962, 166, 261. [all data]
Bulewicz, Phillips, et al., 1961
Bulewicz, E.M.; Phillips, L.F.; Sugden, T.M.,
Determination of dissociation constants and heats of formation of simple molecules by flame photometry. Part 8. Stabilities of the gaseous diatomic halides of certain metals,
Trans. Faraday Soc., 1961, 57, 921. [all data]
Krishnamurty, 1952
Krishnamurty, V.G.,
The complex band spectrum of nickel chloride (NiCl),
Indian J. Phys., 1952, 26, 207. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, 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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