PuX+(X=H,O,N,C)的结构与势能函数
合集下载
相关主题
- 1、下载文档前请自行甄别文档内容的完整性,平台不提供额外的编辑、内容补充、找答案等附加服务。
- 2、"仅部分预览"的文档,不可在线预览部分如存在完整性等问题,可反馈申请退款(可完整预览的文档不适用该条件!)。
- 3、如文档侵犯您的权益,请联系客服反馈,我们会尽快为您处理(人工客服工作时间:9:00-18:30)。
:D< $
7# IOE,A .
N,ASP@DVFS SDVTFJ+@OPFDV
3
4"e 4+5 6 ! 5 7 8, 9, :, ; " KEf2TU;V
&’1
1/23:;<=>$&?!@A"B &’, ) ./0/!1/839
N]+F,FE@F+[ AVA@J! 8O@P@AA " = $’< .1&WY = $’< /&&//
7A IOE,A 1
N,ASP@DVFS RPOPA 4+9 6 ! ) 4+8 ! )
6 &
&’( ) *( + -$ ,$ /$ . 0 !HIJK$LM(N GA@FQA‘ TD@SA SDVRPOVPR OV‘ RUASP@DRSDUFS ‘OPO
>W a T*Y V[ = W ./’W< $.W $Y< 11/ ’$< W1W Y&< &/& ,A a S[ = . &)’< 1. .WW.< ’) ’Y.< >$ W/1< $$ ,A bA a S[ = . W< )1/ ’’< )&’ .< $’> ’< )&Y ? A a S[ = . /< 1.Y> 1< >>’’ /< ’1’$ /< ’&1/ %A a S[ = . /< //’)1 /< /$$/1 /< //.WY /< //.Y$
4 ! NB[OF,% \Z]’^ -O_DD< SD[ " <
!
fghiWX 4+8 6 31?1K? jkl W
3 ’//.B/.B.$ , Z -. , ’//.B/1B’’ , Z /0. < 1 + 2 e ’ :;<=>? Lx ! ’ ; h ’& @ " ABCD
56789 $Lx ! .YY$W/’& " S&
31TU;VQ31N1UiKjklm, n opQqrsKTU;V, Q4501231tu S31v\sa$KLw < xyz{|}K#$_ ‘, ~!2 9’R 8’9 ! J " R 8 ’ S ;9 " ! ‘ # $ v \ < 4+8R ( LM 4+9R 4+:R 4+; QzK %& # ’ !, Ef2TU;VS ) a$;V * {% +
!""
!"#$$% ! !"#$ %"&’"( )"(*&+ " ,-.& /0123 450$63 7$83 # !""#$ #% ! $ " % &’百度文库 ( &’)
*+,-
&’( ) *( + ,$ -$ .$ / 0!"#$%&’(!
! " #$% !
&.//&& /
.
&
’!
()* !
&.//&) "
9Jm">! = #>"#>##>$ ’ 7Jm"’! 6 }~y{ Xw#, Y
>
9J$’7J 7 ! >! = #>"#>##>$ " $’! 6
Y = Y Y 7 $, ! #$ , "# $ , ##$# Y$ Y 6!, 4+8 6 3 1 ? 1K Q UN 1 O M{ $ ! = R !=R $ Y "R """ ‘ 7 4+ 0 1 K MN;4 N O S 8 0 1 K 7 01234 <= hi 4+8 6 &B1..X ! kN1L;V,
N,ASP@DVFS SDVTFJ+@OPFDV# A,ASP@DVFS RPOPA OV‘ A]+F,FE@F+[ JAD[AP@-# AVA@J- TD@ 4+8 6
N,ASP@DVFS RPOPA
$
;A a V[ /< ’/> /< 1’&
% A,ASP@DV & ’ ’ & ’ & ( ( ) ) & * A,ASP@DV & ’ ’ & & % A,ASP@DV & & ’ ’ & ’ ’ ( ( ) ) & * A,ASP@DV & & ’ ’
31?1 $ %MS Y %M, # #EF3G .<
Y = $G . %, 4+8 6 31?1KLMW $! = , ! W &#M <
n d0131v\ o a$ ’ K () zaQ *
#
&’( *( + ,$ -$ .$ / 0 ./0/!1/ 23$0456
)
_0", QY 4+8 6 ! ) $ ! = " K?j~+W 4+8 6 ! )$ ! = " m"4+ 6 ! > 9J " 6 8 ! ’ 7J " n", 4+9 6 31?1K Q UN1OM{ & ! = R
! &’()*$#$+, -.
&’*$01231!"456, -.
)*
789:; 01234 <=> 4+5 6 ! 5 7 8, IJ31?1 9, :, ; " 31?1@+ABC"D45 < EFGH,
KLMN1OM3PQ ) $ ! = ! 4+8 6 " R TU;VW ?+@@A,,BCD@EFA ) & ! = ! 4+9 6 " R ) ) ! 6 ! 4+: 6 " S ) > ! = ! 4+; 6 " / T;V < XYZC[\K]^_‘R a$_‘SbcVd < +,- e 31?1, Ef, TU;V, gh_ # 89:;"D ! GHI "
4O@O[APA@R DT P_A UDPAVPFO, T+VSPFDV TD@ M+5 6 ! 5 7 9# 8# ;# : "
=A a Ac 1< 1)Y ’< /Y) .< /’Y .< WY. &. a V[ = . ’1< /Y. ’Y< &.) 11< )’) 1’< 1/1 &’ a V[ = ’ = >’< &/ ’))< )& 1&/< )$ ’Y.< $Y &1 a V[ = 1 YW1< ’ >$/< / .)W/< Y ./’.< .
CA 1234 A
&’. ) ./0/!%&DE &5678629: 787;3< =’;>7? 5@ &’. ) CB 1234 B 7! IOE,A ’ &’( ) * ( + -$ ,$ /$ . 0 ! CD G( &’/ ) ./0/!%&DE &5678629: 787;3< =’;>7? 5@ &’/ )
C! 1234 !
&’- ) ./0/!%&DE &5678629: 787;3< =’;>7? 5@ &’- )
&’W
,-.& /0123 450$6& ’()& ! !"#$ %"&’"( )"(*&+ " *++,
cD,< .$
) )! = ! 4+: 6 " ) >! = ! 4+; 6 "
N,ASP@DVFS RPOPA 4+9 6 ! ) & ! = " 4+8 ! ) $ ! # "
6
; A a V[ /d .>$) /< ’/>/ /< ’1W1 /< ’1&$
4+: ! ) ) ! % "
6
4+; 6 ! ) > ! # "
; A % A]+F,FE@F+[ V+S,AO@ ‘FRPOVSAe =A % ‘FRRDSFOPFDV AVA@J-e &. R &’ R O1 % UO@O[APA@R FV ?+@@A,,BCD@EFA UDPAVPFO, AVA@J- T+VSPFDV<
>
, ,-
./01 31?1KEf2TU;V 23% + < I J#’!/0131?1KEf2TU;Vyz 4 5 K"D45, >zG 6 K 789 UaK\745 {%&:; < < + => # ’ !Kq ? N1V @ , ABC 7 D EFG , [>D H \ I U JK < 7 &* $8$.$+ 45 < + => # ’ !o, L [>D{ H 01 M T ! MN;4, 789: @A,OPFQFRPFS ATTASPFQA SD@A UDPAVPFO, " NOP , WX K ;"D ! GHI " Q < RST "N1[ -UV , EF ’"QY, 2MZEF [’\] K W = $ L < ^_‘ 7 XO+RRFOV Y> ab , L 4+ 01 MN;4 NOP, 7 01234 ! 0ASZA c d V A B ; V 2 2AAB3OVJB4O@@ [ - ;V e -K G # GHI <= " < => 4+8 6 R 4+9 6 R 4+: 6 S 4+; 6 31?1@+AB 45 <
K. = 1 L
4+8 6 m"4+ 6 6 8 4+ 6 KLN1OM KW L W >9J, 8 KLN1OM K> L W ’7J< n d0131v\ o a$0" KY L , 4+ 6 R 8y 6 . 7: ! 8 " p , 4+8 y . 5! " p , 7: ! 8 " p K> q _ r . 5! " p < s > q _ t u v -3 1 ?1 o , 7: ! 8 " p K IQw G xQ 3 j W 5! " p K IQw G x K y S, kzy{ S w # Q Y 5! " p K IQw G x , | 6 v -31?1K Q UN1OM < 4+ 6 ! >9J " S 8 ! ’7J " 3P3jW 5! " pGx KyS%
> ./ & N1eMW !=R !=R ! 6 ! ’ " ",
!# !=
Y
31?1KTU FG , ( ’M GW H’;V FG, H ’;VW ?+@@A,,BCD@EFA ! ?C " TU;Ve < 7 = =A ! . 6 &. + 6 &’ +’ 6 &1 +1 " AbU ! = &. + " I’ + 7 ; = ;A# ; WqJK, ;A WLMN < E . ( E W ’ KTU FGOP {>\31gh LMEfK~QR, S H 4+9 6 ! ) & ! = " R 4+8 6 ! ) $ ! = "R 4+: 6 ! ) ) ! 6 " S 4+; 6 ! ) > ! = " 31?1Qg h T LK < 7/U < ae H ’ ?C TU;VYZK V d V N 3 G ’< $ fghi YZK V N1OMK]^_ ‘S $ ?C d Vhi YZKa$_‘2bcVd 3 G 1<
!
&’( ) *( + ,$ -$ .$ / 0 ./0/!"# $%&’(
E . ( E W 3PW 4+8 6 R 4+9 6 R 4+: 6 S 4+; 6
) &! = ! 4+9 6 "
C# 1234 #
&’, ) ./0/!%&DE &5678629: 787;3< =’;>7? 5@ &’, )
& & & ’ ’ & ’ ’ & LMN1OMW ) & ! = , ?j ~ + W 4+9 ! ) &! = " m " 4+ 6 ! > 9J " 6 9 ! 1 /J " $ 4+: 6 3 1 ? 1 K Q U N 1 O M { ) ! 6 R !6R
Y .. ) $ Y N1eMW !6R !6R "R "R "" , % N1 & & & ’ ’ & ( ( ’ ’ & ) ) * N1 & & & ! ! " ! ! " ) 6
% N1 * N1
& & & ’ ’ & ’ ’ & ( ( ’ ’ &
LMN1OMW ) ! , ? j ~+ W 6 ) 6 ! " m 4+: ) ! "4+ 6 ! > 9J " 6 : ! W 7+ " <
./ > 4+; 6 3 1 ? 1 K Q U N 1 O M { & ! = R !=R & 6 N1eMW ! R! ", % N1 & & & ’ ’ & ’ ’ ( ( & & ’ ’ =
A
"F
* N1 & & & ’ ’ & ’ LMN1OMW > ! = , ? j ~+ W 4+; 6 ! ) > ! = " m"4+ 6 ! > 9J " 6 ; ! 1 /J "
L 4+ 01[>D{ H 01 M T NOP , 8R 9R ! 789:; : S ; 017 &B1..X kN1L;V, 01 234 < = # # h i Y Z 4+8 6 R 4+9 6 R 4+: 6 S4+; 6 K L M N 1 O M 3 P W ) $ ! = R) & ! = R hi N 2 H ) ) ! 6 S ) > ! = < $E . ( E W Q W X , ’ ;V [’\] < 6 ! , IJ31?1KLMTU ;VQ7 ?+@@A,,BCD@EFA T;V Xlm <