v

.. 'IIIU,1

6'fl1Dqj i

6'fl1Dqj~tJi11'V'1 v

6'fl1DqjI'1111-:J vii

r11tJl x

'IJ'VltJl 1

LfliimJ'W'Vl% ~€l €l~11? 1

LfliimJ'W'Vl~~ (Inorganic Chemistry) 1

tJ1d'~'1J€l-:JLflii€lf1'W'Vl~~ 1 o Q 'iQ

nl1nlL'W\1l~1~LL6'I~nl1Ln\1lb6'ln 2

'Vl~~DDnLL'IJ-:J (Big Bang Theory) 2

'IJ'Vl~ 1 Lfl1-:J6'f~1-:J€l~l'1mJ 5

1.1 6'fLtJnl'1r:lJ€l~I'1€l:lJ 5

1.2 6'f:lJnl1f1~'WVI~€l6'f:lJnW1JL1€l~-:JL-:J€l{ 7

1.3 €l~i11f11'Wn~€l-:J 8

1.4 €l~I'1€l:lJ1~L\1l1L'iJ'W 10

1.4.1 L6'I'1JfI1€l'W\ll:lJ:l.J'1J~1r1qj (n) 11 tQ.I <V Q. ~Q. IV

1.4.2 L6'I'1Jfll€l'WI'1:lJ :lJL:lJ'WI'1:lJL'1l-:J:l.J:lJ'1J€l-:J€l€l1'IJ'Vl6'l (I) 11 v , "

1.4.3 L6'I'1Jfll€l'WI'1:lJLL:lJLVl6'ln (ml) 11 v v 1 .dCII ~ ~

1.5 1~\1l'IJ'V'Ii:N-:J1'W 'W€l~I'1€l:lJ'Vl:lJVl6'I1tJ€lL6'lnm€l'W 13 a I I ~Q. ll.I

1.6 ~ u11-:J'1J€l-:J€l€l1'IJ'Vl6'l 13

1.6.1 €l€l{DYl6'I-s 13

1.6.2 €l€l{DYl6'I-p 14

1.6.3 €l€l{DYl6'I-d 14

1.7 6'f:lJ:lJlm'1J€l-:J€l€l{DYl6'I 15

1.8 6'fm'W~€l~I'1€l:lJLL~~~qj~n~ru~'Vl€l:lJ ;; 15

1.8.1 n11V11~qj~n~ruL'Vl€l:lJVi6'ffll'W~.w'W 17

1.8.2 1:lJLfl16'fL'Vl1'1 (microstate) 19

'IJ'Vl~ 2 L:lJL~~6'1LflL:L~'Wv1 28 CIIQ Cll ~Q.J'" ')

2.1 'Vl~~~'VlLntnn'IJb:lJL6'I~6'IbflL1L6'I'W1'1 28 <C:I ~Q, Q.I ')

2.2 'Vl~~~€l€l1'IJ'Vl6'l b:lJL6'I~6'I 28 1I ~Q, Q.I

2.2.1 n116'f11-:J€l€l1'IJ'Vl6'l :lJL6'I~6'I 291

v v f'""" v 12.2.2 1~\1l'IJ'V'I6'I-:J-:J1'W'1J€l-:J€l€l1'IJ'Vl~ :lJL6'I~6'I 31

2.2.3 el'WI'l'lJ'W'Wl)~ (bond order) 33

2.2.4 'Vl~~D€l€l{DYI~ L:lJL6'I~6'In'IJ6'fi11'V'11 vJY116'1'IJ 36 q f'..,. (LJ ') 0 (LJ .....

2.2.5 'Vl~~~€l€l1'IJ'Vl6'l b:lJ L6'I ~6'I6'flV11'IJ b:lJL6'I~6'IV16'11 tJ€l~I'1€l:lJ 37

2.3 'Vl~~D'W''Wlj~L1L6'I'W'I1 43

2.3.1 €l€l{DYl6'l1~'IJ~1\1lL'lli'W 45 Q <Q v 0 I' 'i

2.3.2 1~'lJ1\1l€l€l1'IJ'Vl6'lLL~~~ u1:-:J b:lJL6'I~~ 47 Q1 v 1 'i , vqq v

2.3.3 1~'\J1 \1lL'll'1l'W 'Wb:lJL6'I~6'I'Vl:lJ'V'I'Wu~~LL6'I~'V'I'Wu~6'f1:lJ 49

vi

.. VlU1

2.3.4 fn1~~~~'W51~Vd1'lltJ'U~1V1b'1li'WbbG'l~~~~'W'B~ 50

2.3.5 nl11<ff€l€l{-OVlG'l-d 1'W€lbm'!~ 52 .. 5.2.3 'lJeNbL'lJ'

2.3.6 'Vl'l~5~'W'B~blbG'l'Win'Ui.'l.f11'W 1vJoW 1G'l'U 56 5.2.-1 1~'VI~ ... ~ QJ IQ, ~ 1 • 82.4 'Vl'l~!Jnl1c.JG'ln~€IbG'lflli11€1'W 'Wd'lblbG'l,'W'1l : ;; 5 .. " 5.:3 1~'U'Ue.J~nvn

.q 0 ClII«:li tV Q j Q.IQJ'''2.4.1 'Vl'l~!J VSEPR i.'l1V!1'U b~bG'l~G'l~~'W'W'B~bVlfJlb'Vll'W'W 59 5.4 fl1'lIi'\l1b~fJ'lv

.. 0 V,\ .... v 1" 692.4.2 'Vl'l~!J VSEPR i.'l1V!1'U b~bG'l~G'l'Vl~'Wtl'B~ 'WlinfJ M 5.-1.1 lym?l~ 2.5 tJ1~'illi11~i.'lli11 64 5.4.2 lr1'l'l?l~, " 2.6 b1b'1lbb'Wtli 66 i-t.:l fl1'lf111

2.7 ~tl'B~~ijV!G'llfJ\'1tlcJflm'l 68 5,-t,-t'1lv'l'h" "

2.8 b~b~tll'1'lJlri (dipole moment) 69 5.5 lr1'l'l?l~l'le.J~1 .. ,

'U'Vl'Vl 3 i.'l~mli11bbG'l~n~~~Vl 73 "

5.5.1 lr1'l'l?l~ 3.1 fll1fl1~vlli.'l~~1li11bbG'l~V!tbfJi.'l~mli11 73 5.i2 lr11'l?l~

3.J.1 1~tll'Ui.'l~~1li11V!~€I1~'Wl'Ufl1~'ilfl 73 5j.3 lr1'H?l~

3.1.2 \'1tlcJflG'l1'li.'l~~1li11 74 5.ii,-t lr1'l'l?l~" ~'1J ~ 11 v ev If

3.1.3 bbfl'W'Vl b'llV!~'W (Axis of rotation) V!1€1bbfltlV!lj'Wbb'Vl (proper rotation) i.'lqjG'lfl~ru C 75n 5.5.5 lr1'l"'l?l~ 3.1.4 fl11V!~tl1€1'Ubbfl'Wbb~1i.'l~vl€ltl (Rotation-reflection operation) V!~€lbbfl'WV!~'W hibbvl 5.6 elli111~'J'iJ~flli

(improper rotation) ~qj~fl~ru S" 77 5.7 ~~'l'll'iJLb~li1'

3.1.5 fll1V!~tlfl~'UrillbbV!ti'lb~~ 78 5.8 ml~l~mJ'U', " " 3.2 'Vlf1~nn~~bbG'l~i.'l~'U'11-W'W~l'W'lJ€I'lfl~~ 78 <>' d.J , cd' 5. .I ~n'l;ru:

o ~1 I I

3.2.1 fl11fl1~'Vlli.'l~~1li11b utlV!'WdfJ'lJ€I'ln~~ 80 5.9 YI~'l;~LLfI'ULL' 3.3 fl~~~Vl~l'l 1 82 5.9.1 YI~'l;~L

3.3.1 fl11-:DVlb~bG'l~G'l1~€I~1tlfl~~~Vl~1'l 1 86 "',5.9.2 ?l11n'l~

3.4 ~lbb'Vltlfl~~ 89 "',, , 5.9.:3 ?l11m~

• v .. o'l~" .. ..3.5 !i1111'l bbl'1 bb 1mli1€11bbG'l~li11 bb 'Vltl'VlG'lVl~ u ~ bVl 94 'U'Vl'Vl 6 bb'l'lLr1~ ..

3.6 i.'l~Wi'Ul'ltJ':i~fl1':i'lJ€I'l reducible bbG'l~ irreducible representation 95 6.1 'lltlVl'lJeJ'lbl.'l'l\

3.7 fl11V!lbbl'1bb':iflbli1€1ft'W reducible representation 96 HI ~'iJ,d,

3.8 fll':iV!l'i'iltlltll'1~'l'lJ€I'l irreducible representation 99 6.1.2 ~w)~l

3.9 fl11'l11'Vl'l~5fl~~ltflm'W Vibrational spectroscopy 101 6.Ll bm1m

'U'VlVi 4 ¥l~€I€1~'8Vi (periodicity) 105 6.U bL'l'l1\l11

4.1 fll1-:DVl'Blli11tl!i1111'l'Blli1 , 105, , (i.1.5 bb'l'lL'VIi

4.2 li1111'l'BlliJi.'l:WfJ1V!~ J07 6.1.f) bb'l'lm:

4.3 1'111~i1~~'W5'Vl~bW'l~~ 111, 6.1.7 bL 'l'le.J~

4.4 ~\'1ij€l~li1€1~bbG'l~l€1€1€1tl 112 (i.1.8 ~'iJ,d

4.5 c.JG'lfll1,J'l 114 6.2 BYl5~~'lJv'lLI

4.6 i.'l.f11'W1vJYhG'l'U 116 6.2.1 ~\l1b~v. 4.7 ~~'W':i':iI'1.nl'WBb~flli1':irJ'U 119 6.2.2 fl1'l~~

d ~ Q, QIf

'U'Vl'Vl 5 'lJ€I'lbb'lJ'l€ltl'W'Vl':ifJ 121 'U'VlVi 7 bf&1J€I'lm\l1bb~~1

5.1 ~n~ru~vtl1tJ'lJ€I'l'lJ€I'lbb~'l 12J 7.1 iim~'lJv'lm

5.2 'lliiVl'lJ€I'l'lJ€I'lbb~'l 121 71.1 iifJl~f

5.2.1 'lJ€I'lbb~'lb~bG'lnG'l 121, 7.1.2 tlm~r

.121 7.1.2 'U!Jl~fl'lt'i-b'U?!'VeJ'l~fl'1i-~-rt'i 168

.. ~Ul

... 50

.. 52

... 56

.. 58

.. 59

... 62

.. 64

., 66

.. 6

... 69

.. ,73

... 73

... 7:3

... 7f [... ID

... 77

... 78

.. ,.78

.... 80

.... 82

.... 86

.... 89

, 9f

, 95

, 96

".. 99

.101

,,105

.105

.107

111

.112

.114

.116

.119

.121

.121

.121

vii

.. ~Ul

5.2.2 'VeJ'lbb~'lbb'U'U1eJeJeJ'lJ ('VeJ'lbb~'l1eJeJeJ'Ufl) 122

5.2.3 'VeJ'lbb~'llf1blb'l'lJiil , , 122

5.2.4 1m'l~ 122

5.3 'l~'U'Ue..J~fl"t11tJ 122

5.4 fll'l~t'i b~!J'leJ~\i1m.JV1~eJ 1eJeJeJ'lJ1'lJe..J~fl 125 " ~5.4.1 1fI'l'l?!'ll'lfll'l'U'l'l~'1Jt'i

.. 1 v~~t'ibb'U'UblJfl'1l~ fl'lJ'l 125

v QoCll ~

5.4.2 1m'l?!'ll'lfll'l'U'l'l~'1Jt'i'Vl~t'ibb'U'U~fl'Ull"1fl 126

5.4.3 fl1'lr11'lJlruV1Trl"lijeJ~\i1eJ~ bb'l~ b'l'VeJ1d fll1t'i'l'l1 fllf1'l'l?!~l'lfl1'l'U'l'l'l:at'i~?!t'i 128 , ' ,

, '11" ~ ..5.4.4 '1JeJ'lll'l 'lJ fI'l'l?!'ll'lfll'l'U'l'l~'1Jt'i'Vl~t'i 129 1 !V 4 V <=0

5.5 fI'l'l?!'ll'le..J'lfl?!l~qj'Ul'l'1J'lJt'i 131

5.5.1 lf1'l'l?!~1'lbb'U'U1'1lb~!J~fI'leJ1'lvl: NaCl... 131

5.5.2 lf1'l'l?!~1'lU,'U'U'i1b<B!J~fI'leJ1'lv1: CsCI 131 1" ..5.5.3 fI'l'l?!'ll'lbb'U'Ubbflm'1 1 <l!J~~~eJeJ 'It'i : CaFt 132

5.5.4 lf1'l'l?!~1'lbb'U'U'B'lf1i'l1~v1: Zu8 132

5.5.5 1f1'l'l?!~1'lbb'U'U~'Vllbi1!J~ (TV) eJeJfl1'1lv1 : TiO.) 133

5.6 eJ\i1'l16'11'lJ-rl"lffieJeJeJ'lJ " , 133

5.7 Yj~'l'l1'lJbb'l\i1~'1lbb'ld'!l~fl'l'UeJ1'lJ-IJlb'UeJ1 135

5.8 <"o~1l ' ml~ ~?!~\1'lruV1'leJ\i11V1'lJ 'lJe" ..J'lfl 139

5.8.1 ~fl~ru~ lf1blb'l'lJ\i11'lJ?!1'l1eJeJeJ'Ufl , 142 q .J <u 0

5.9 'Vl~~~bbfl'Ubb'l~?!l'lfl'l\i1d'lJl , , ' 145

5.9.1 'Vl~~~bbfl'U , 146

dvoqQ, <=od al , 5.9.3 ?!1'lfl'l\i11'lJl'VlLflt'i'llfl?!'lb'leJu'lJbm~flll~ ~?!~\1'lru'VeJ'le..J'.. lfl 149

vo 1 v .. ""5.9.2 ?!1'l~'l\i11'lJl ~\i1dbeJ'lbb~~bb'U'Ufl'l~~'lJt'Id!JbL?!'l., , , , 148

l' <

'U'VlVl 6 bb'l'lLfliJ ,.. , ,.. , , ,.. " , 152

6.1 '1J'Ut'i'VeJ'lbL'l'lLflij (~'lJLi~bflij) , 152

6.1.1 ~'lJLi~lf1blb'l'lJiil , 152

6.1.2 ~'lJLi~ 1eJeJeJ'Ufl ', , , 152

6.1.3 bb'l'l1eJeJeJ'lJ-1t'i1Yj'l 153

6.1.4 bb'l'l1t'ilvm-1t'i1Yj'l 154

6.1.5 bb 'l'lbV1~!Jlth1t'il Yj'l , , , 155

6.1.6 bb 'l'lfl'l~'ll!J'leJ'lJt'i eJ'lJV1~eJ bb 'l'l bb 1'lJbt'ieJ111'l~ , , , ' '. 156

6.1.7 bb'l'le..J~fl , , 157

6.1.8 ~'lJLi~ 1IJ1t'i'lb'l'lJ ,.. ", , ' , , 157

6.2 B'Vl5Yj'l'VeJ'lbb'l'lbflij~eJ?!~m;'Vll'lfl1!JmYj'VeJ'l?!1'l 160

6.2.1 ~t'ib~eJt'ibb'l~~~V1'leJ~bV1'll 160

6.2.2 fl1'l'l~'l1!J , , , , , 163

'lJ'VlVl 7 bfliJ'VeJ'lfl'lt'ibb'l~b'U?! ' 167

7.1 'U!Jl~'VeJ'lfl'lt'i-b'U?! , 167

7.1.1 'Um~fl'lt'i-b 'U?!'VeJ'l b'U~'lJ?!b\i1t'i-bm~bb'l~'VeJ'leJ11b 'lbU!J?! 167

viii

.. '\11'\.1,1

7.1.3 tJtll:lJmVl-b'U?lVilm::;'U'U'Uv'lI'1';J'vh"'::;"'lt1 ........................................................................................... 168

7.1.4 tJtll:lJn':iVl-b'U?l'U€l'l~l~?l 170 ':itJ~ 1.1 V'Wi11flL'U

7.1.5 tJtJ1:lJ'Uv'l~'1l11'Wi'1l 171 'U , ~tJ~ 1.2 €l'Ui11flL'U.

7.2 flll:lJbb':i'l'Uv'lmVlbb"'::;b'U?l .................................................................................................................................. 171 ':i'U~ 1.3 ~U~l~'VB~E

7.2.1 flll:lJb-U'Wb'U?l'U€l'l lm/'j::;vvn1'1lv1 ............................................................................................................. 171 'U

':itJ~ 1.4 ':iU~l'1'VtW 7.2.2 uljn~tll1mmi'W 172

'IJ

;tJ~ 1.5 ~U~l~'VB~a 7.2.3 fIll:lJb-U'Wb'U?l'Uv'lbvij'W ............................................................................................................................ 172

'U

':i'tJ~ 1.6 bA~B'I'vnJl 7.2.4 flll:lJb~'WmVl'UV'lmVl€lVn<a (mVl~ij 0 v~v11tl) 173

'U

':itJ~ 1.7 nl':iriA'lU~' 'U 'IJ

7.2.5 iJ"il~tlVi'Vh1~fIll:lJbb':i'l'Uv'lmVl-b'U?l bU~tI'Wlu"illn~fll':ib-U'W 174 ~tJ~ 2.1 All:lJ'VI'Ulbb

7.3 fIll:lJ hard-soft 'Uv'lmVlbb"'::;b'U?l 177 0 1v~ ~ 'U nlWl:lJtl'U1':i'tJ'Vl 2.2

73.. .1 m':i"illbb'WnmVlbb"'::;b'U?l 'VlbiJ'W hard 'Vl':iv soft... 178 d ':i'U'Vl 2.3 nlWl:lJ'V eN

7.3.2 flll:lJbb':i'l'Uv'lmVl-b'U?l fl'U hardness bb"'::; softness 180 'U

':itJ~ 2.4 nl':i':il:lJ'VB~ 'U7.3.3 .fm::;€l~~l:lJfl'W .. 182'IJ

':iU~ 2.5 nl':i~~bbn'U1 'U7.3.4 -w'W6::;~h'l 1 fl'U hardness-softness 183 ~tJ~ 2.6 ':i::;vi'U"I-l~~~'

, 7.3.5 ?lm"l-ll'V'JY1:"''Ufl~ hardness-softness 184 ':i'U~ 2.7 ':i::;vi'U'Vi~~r

'U'VlVi 8 bflffi'W1'11v11"'::;"'1t1m:lJl'1i'l11 185 'U d

':itJ'Vl 2.8 ':i::;vi'U'Vi~~r 8.1 'U'Vl'l11 185 'U

~tJ~ 2.9 flll:lJ811~t 8.2 bbv:lJL:wbUtl 186

':itJ~ 2.10 "bunVi~:lJ1Y18.2.1 ?ll':i",::;mtl'Uv'll",'Vl::;1'Wbbv:lJl:lJb'uti ......................................................................................................... 188 'U

~tJ~ 2.11 ':i::;vi'u'Vi~m 8.3 n':iVli~YJ1~n 190 d

~U'Vl 2.12 ':i::;vi'U'Vi~~~l 8.4 ?l':iUbntllfl'U1'11v11",::;mtl1"I-l':i1'VltJn 193,

~U~ 2.13 n~:lJBBiih1.8.5 1'11v11"'::;"'1t1v::;1"I-l':iYin .~ 195 ~tJ~ 2.14 bb~'Ui11'Vibb"

8.5.1 vllv11",::;mtlhWil~, 195 ~tJ~ 2.15 ":lJ:lJlm'VB~

8.5.2 vllv11",::;mtlViijoD'lbbVl1,JbnVlm':ibbVl ~ nvll, 195 ':itJ~ 2.16 nl':i':il:lJfl'U'J.

8.5.3 \lhVll",::;mtlViijoD'l bb"'::; bnVlm':ibb\lln 1'11v11tlvllbV-:Jlv1 195 'U

~tJ~ 2.17 nlWl:lJn'U'J. 8.6 bn~€l'Vl"'v:lJb'Vl"'l 198

~U~ 2.18 nl':i':il:lJn'U'J. 8.6.1 bn~vb~v"'fll1"'bb!jl"'v1 198

~tJ~ 2.19 nl':i':il:lJn'U't 8.6.2 bn~vViij-w'W6::; lf1blb"''Wvl .......................................................................................................................... 198

~U~ 2.20 bb~'Ui11'Vinl'8.6.3 ?ll'm::;mtl'Uv'll",'Vl::; 199 d

~U'Vl 2.21 nl':ibtJ~8'Ubb8.6.4 m':ibnVl?ll':iU':i::;nv'Ub~'1i€l'W 200

~U~ 2.22 nwffB'UbnCJ 8.6.5 m':il,Jlv'l11\livuljn~tJ1'Uv'lbn~vVmv:lJb'Vlm 200

~tJ~ 2.23 nl':iiB'Ubn8 8.6.6 bn~m'l"'v:lJb'Vlm~mu'Vl.nii~l'IJ 201 d• ~ ,

~tJ'Vl 2.24 nl':i<iJ'B'Ubn8 'U'VlVi 9 P1n~oD'll'V'J~lbb"'::;bb':i'lbfl~V'Wl'V'JY11 202 d

~tJ'Vl 2.25 ~:lJ~'U6::;" ... 9.1 bb':i'lbfl~v'Wl yJY11fl'U'I"~~'1'11'Wb?l~bb"'::;?l:lJm':ibtJ':i'WL'1 202

~tJ~ 2.26 ':iU~l'1bb61::;:lJ 'IJ •9.2 B'Vl5"1-l"''Uv'l p~ \livrilP1n~.fr11'V'JY11 204

~tJ~ 2.27 ril"i11'Vilv1~9.3 bb~'W~'1bb':i'lbfl~v'Wl'V'JY11 ...................................................................................................................................... 206 d

~tJ'Vl 2.28 lA':i~"~l~'Vt9.4 bb~'W~'1'V'J':iv?lvl 211

~tJ~ 2.29 nl':ibnlil~'U6 9.5 bflm'V'JY111'Wvllv11",::;mtlm:lJl'liJl 215

~tJ~ 2.30 nl':ibnIilBBi'

~U~ 2.31 ':i::;vi'U'Vi~m~~~nJ1:.~~~.:::::::::::.::::::::::::::.:::::::::.::::::::::::::::.::.:::::::::::::::::.:::::::::::::::::::::::::::::.::::::::::::::::::::::.:::::::'::.::::::::::::::::::::::.:::::::::.:: :~~

red shift, 3

f1-!]'lJe:J-:JVhill'U&'1,l43

f1-!]'lJe:J-:J~'U~, 16

f1-!]e:Je:Jmvl'rJ, 106

m~~I;1VjJ~f1, 190

m~-b'U61'lJe:J-:Jb'U~'Um\9l~-bml167

m~-b'U61'lJe:J-:J~f1i-'rJ~~, 168

m~-b'U61'lJe:J-:J~JB61, 170

f1~'UtJ1'a~ ~bm"iJ'U#i, 111

f1mll161\9libb~'Ub~hJ, 8

f1~~Pil~, 81, , m=i1J?ll1J, 105, f1~lJe:Je:Jith11;1, 37, m'am~v\'l61lJm\9l'a, 73

m'arlm'U, 16" ,

m'a'U'a'a"iJbb'U'U"1l~Vi61~, 125, , m'am~mCl, 163

bf1~m'me:JlJbVlm, 198

bbf1'UmiVllJ'U,75, ~ '1 ~

'lJe:J-:Jbb'lJ-:JbflbJbl;1'U\9l,122

'lJe:J-:Jbb~-:JbbU'U 1e:Je:Je:J'U, 122

'lJe:J-:Jbb~-:J llJbl;1f1l;1, 121, mllJ hard-soft 'lJe:J-:Jm~bbl;1~b'U61, 177

mllJ1:iJ61lJ'U'm1'lJe:J-:J~~f1,139 "

mllJ~lJ~'U5'Yl~bbCl-:JlJlJ, 111, lfl'a-:J6111-:J~~f1611~qj, 131

"iJ~b~e:J~, 160, "iJ~V1I;1e:JlJbVlm, 160, "llb'ae:J~-:Jb-:Je:J{ 7

-rimb'Yl'Yl'a~~~~I;1, 129

-rie:J-:Je:Je:Jf1'Yl~~~~I;1, 130

'1i61~mVi'U, 1

"ll~'al1'UJ1, 4 " l~'Um';i'U, 88

(?)Jv\'ll;1~mCll~';il'Yl-Uf1, 193

(?)Jv\'ll;1~mCle:J~ 1~';iVl f1, 195

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