A, B, C
|
Rotational constants (MHz). These are related to the principal moments of
inertia: A = h/8 2 Ia, etc. |
![B bar](Eqs/barB.gif) |
B-bar equals (B + C)/2. |
, , , D |
Quartic centrifugal distortion constants (MHz or kHz). |
H, h |
Sextic centrifugal distortion constants (MHz or kHz). |
L, , G,
g |
Octic centrifugal distortion constants (MHz). |
P, p, F |
Dectic centrifugal distortion constants (MHz). |
eQqaa(X), ...
aa(X), ... |
Nuclear electric quadrupole coupling constant along principal axis
indicated for nucleus X (MHz). |
eQq ![eta](/Images/eta.gif) |
Product of the nuclear quadrupole coupling constant and the asymmetry
parameter for the bending vibrational state. |
µa,b |
Components of the electric dipole moment along the a-
or b-principal axes. |
![alpha](/Images/alpha.gif) ,
![gamma](/Images/gamma.gif) ![italic v](/Images/varupsilon.gif) ![italic v](/Images/varupsilon.gif) |
Rotation-vibration coefficients in the power series representing
B (eq 3). |
q![italic v](/Images/varupsilon.gif) |
-doubling constant (MHz). |
|| , ![sigma](/Images/sigma.gif) ![perpendicular](/Images/perp.gif) |
Components of the magnetic shielding tensor which are parallel and
perpendicular to the molecular axis, respectively. |
Q |
Molecular quadrupole moment relative to the center of mass
(esu · cm2). |
|| - ![alpha](/Images/alpha.gif) ![perpendicular](/Images/perp.gif) |
Electric polarizability anisotropy (cm3). |
![chi](/Images/chi.gif) , || |
Components of the magnetic susceptibility tensor which are, respectively,
perpendicular and parallel to the molecular axis
(erg/G2 · mol). |
xx - yy |
Magnetic susceptibility anisotropy. |
g , g|| |
Components of the molecular G tensor which are, respectively,
perpendicular and parallel to the molecular axis.
g is
sometimes denoted g or gJ for linear molecules in
the ground state (µN). |
gxx - gyy |
Anisotropy of the molecular G tensor perpendicular to the molecular
axis (µN). |
cX or M |
Spin rotation constant related to nucleus X (kHz). |
SXY |
Spin-spin interaction constant between nucleus X and nucleus Y (kHz). |
p , p |
-type doubling parameters,
|
peff |
-type doubling constant in the
2 1/2 state (MHz). |
a, b, c, d |
Magnetic hyperfine coupling constants (MHz) where,
Here µB is the Bohr magneton, µN is the
nuclear magneton, and gN is the nuclear g-value. |
A |
Spin-orbit coupling constants defined by the power series expansion,
A = Ae + A(1) + A(2) 2 + ... . |
(O)S |
Spin-rotation interaction constant (ref [21]).
Coefficient in the Hamiltonian term (O)S
N · S. This is related to
ii's in
Lin's notation [19] as
(O)S =
1/3( xx +
yy +
zz). |
(ij)S,Tij |
Spin-rotation interaction constants where i and j are a,
b, or c and the Hamiltonian term is (ij)S NiSj.
See Curl and Kinsey [21] and Bowater et al.
[22] (for Tij notation) for
correspondence to the notation of other workers. |
(O)I,aI |
Fermi interaction constant and coefficient of the I ·
S operator. (O)I =
(16 /3)gI
µB µN [ (O)]2. |
(ij)I |
Magnetic dipole-dipole interaction constant in the Hamiltonian term
(ij)I SiIj
where i and j are a, b, or c.
(ij)S =
gS gI µB
µN [ ij - (3rirj /
r3]Av . |
(ij)Q |
Nuclear electric quadrupole interaction constant in the term
(ij)Q
IiIj
where i and j are a, b, or c and
(ij)Q =
[eQ / 2I(2I - l)]
( 2V / i j). |
AS , BS , CS |
Combination of spin-rotation constants where
AS = (aa)S +
(O)I ,
BS = (bb)S +
(O)I , and
CS = (cc)S +
(O)I . |