Triatomic Spectral Database

Appendix

1. Molecular Structures for Triatomic Molecules

Although none of the structures reported in the literature were reanalyzed in the present work, for completeness the structural parameters reported are given here in table A.1. Since the equilibrium, re, and substitution rs, structures are considered most reliable, these are quoted when available.

Table A.1. Molecular Structures of Triatomic Molecules

Molecule
(ABC)
Type rAB () rBC () ABC Ref.
Ar35ClF ro 3.330 1.631 78 a 168.87o 74009
Ar37ClF ro 3.329 1.631 75 a 168.94o
ArClF re 3.286    
Ar35ClH ro 4.0065 1.2839 41.53o 73026
Ar37ClH ro 4.0058 1.2839 41.53o
Ar35ClD ro 4.0247 1.2813 33.71o
Ar37ClD ro 4.0242 1.2813 33.71o
ArFH ro 3.540 ... 48.20(7)o 74021
HBS rs 1.1692(4) 1.5995(4) 180o 73027
BrNO rs 2.140(2) 1.146(10) 114.50(50)o 70018
BrCN ro 1.789(10) 1.160(10) 180o 48003
ClCN rs 1.631 1.159 180o 63005
re 1.629(6) 1.160(7) 180o 65009
FCN rs 1.262 1.159 180o 63005
CF2 ra 1.3035(1) 1.3035(1) 104.78(2)o 73030
HCN rs 1.0635(3) 1.1551(2) 180o 75007
re 1.0655(5) 1.153 21(10) 180o 71021
HNC rs 0.986 07(9) 1.171 68(22) 180o 76025
HCO ra 1.1102 1.1712 127.4o 74022
ro 1.125 1.175 124.95o 75035
HCO+ rs 1.0930 1.1071 180o 76013
HCP rs 1.067 1.542 180o 64002
re 1.0692(8) 1.5398(2) 180o 73063
ICN ro 1.9952 1.1581 180o 72026
OCS re 1.1543(10) 1.5628(10) 180o 73045
OCSe re 1.1535(1) 1.7098(1) 180o 77031
SCSe ro 1.553 1.695 180o 71022
SCTe ro 1.557 1.904 180o 54002
KrClF re 3.3136 1.631 78 a 180o 75034
ro 3.388 1.631 78 a 169.93o
HOCl rs 0.97 1.690 102.5o 71023
ClNO rs 1.975 1.139 113.3o 61005
NSCl rs 1.450 2.161 117.7o 70021
ClO2 rs 1.471 1.471 117.5o 62005
Cl2O ro 1.7004 1.7004 110.86o 66015
Cl2S ro 2.014 2.014 102.8o 72028
CsOH re 2.391(2) 0.960(10) 180o 69025
HOF ro 0.966 1.442 96.8o 72030
FNO rs 1.512 1.136 110.1o 69026
NSF ra 1.448 1.643 116.9o 67013
GeF2 re 1.7321 1.7321 97.148o 72032
NF2 ro 1.3494 1.3494 103.3o 74003
OF2 re 1.4053 1.4053 103.07o 66019
SF2 re 1.5875(2) 1.5875(2) 97.96(2)o. 74010
SiF2 re 1.5901(1) 1.5901(1) 100.77(2)o 73036
KOH ro 2.2115 0.9120 180o 73037
LiOH re 1.580 0.950 180o 76007
HNO ro 1.0628 1.2116 108.6o b
HNN+ ro 1.0406 1.0949 180o 76014
RbOH re 2.301(2) 0.957(10) 180o 69025
HO2 ro 0.977 1.335 104.1o 76008
H2O re 0.9587 0.9587 103.9o 74036
H2S re 1.3356 1.3356 92.11o 67027 c
H2Se re 1.4605(30) 1.4605(30) 90.92(12)o 62011
NO2 re 1.1947 1.1947 133.82o 75036
NNO rs 1.1286(3) 1.1876(3) 180o 58002
SSO ro 1.883 1.464 118.2o 74006
SO2 re 1.430 76(13) 1.430 76(13) 119.33(1)o 69039
SeO2 re 1.6076(6) 1.6076(6) 113.83o 70035
O3 re 1.2717(2) 1.2717(2) 116.78o 70048

a Assumed

b F.W. Dalby, Can. J. Phys. 36, 1336 (1958).

c See also [75020].


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