4P136

L-Alanine, L-Prorine, L-Valine ! VUV-CD "#$%&'()!*+,-./012!3456(789:;< 1 JST-CREST2= >?@/ABCDEFGH 3= IJ9:KLMNOP 4)
QRSTU 1VWXY 1,2VXZ[K 3V\]^_ 3VZ`ab 4VcXde 1,2ᴾ

fghijk= lmno(CD)"#$%&gVplqr,slqr!tuvw!xyr!z{&|}j~D%!2V &!!*+yjV"#$%&!()Vj~yNH3+= ¬­VlqrHE®¯°}±}1 y²B³´!µMj¶·V¸¹!º»2gB³¼½¾,¿À²[ÁÂÃ(VUV)ÄÅ! CD "#$%&¼B³HCH32,3-OOC¿ÀVÆÇ!HÈÉÊjË²ÌÍ}$¼ÎB¿À ÏÐ2ÑÒgVH34ÓÔÕHÈÉÊ2Ö L-AlanneVL-Proline ! CD "#$%&yVSAC/SAC-CI ´y²A×VØÙ!ÚÛVÜÝÞß,¿À²Í}$COO4+NH2
Ï!¢âVØÙ"#$%&y¶ÇÚÛ¦Ð,jãäV!()yàá å!¶ÇæÍ}$2Öá()¼«Ð,¼çèáÏ!é²!
NH3+
êëyìí¦iVA× CD "#$%&!34yàîW@í2gV¶·Hïðñòyàîij L-Valine !A×yà²V3 §!HÈÉÊ! CD "#CH(CH3)2-OOC$%&y34VÏ!¨æó1éójô²õö¦÷øjV01  1. = L-Alanine,jËùA× CD "#$%&(úB),!34à²V-.,01! CD L-Proline,= L-Valine!o ¡E"#$%&jô²õö¦fA×û´k(a)ØÙ!ÚÛ,()= A×~üg L-Valine 2ÖØÙ¼ýþ.(ÿ)2à +H N
CH33HçÀ²iVgÿ!2Öo ¡E( 1),
WA×2gVA×!~ü, L-Valine ! ·y!"¶îj 13 #!
HCH3
L-Valine y»$VÏÀ%! atomic charge y NPA ´j¶·&iVZ'!
COOL-Valine y(Ç)!êyó*j»$+VL-Valine ýþ.!,-&H+H3N
H,L-Valine !jg X .¢£ñòj¶·/%À 5 y02 §¨!©ª«o¼ 1:1 212À²i( 2)V3!
H3C
CH3CD vwyA×VÏ!45j¶· CD "#$%&yA×CD !A×COOjgVSAC/SAC-CI ´y²6789gVcc-pVDZ+Rydberg(s,p)y 2. L-Valine ¢£²Zj¤¥¦ 2 §¨!©ª«o(b)CD"#$%&!34= 2:g¼æ²L-Alanine,L-Valine;' 1, <' 2!CD"#$%&!34yàîA×,-&g;=L-Valine!!y²V!©ªy><!¶îj*+¿?A×yàî(1) ©ª«oj¶CD"#$%&!*+jô²õö¦iV @DÍ&6!AVÜ
ÝB&C D&6!AEF¿?(2) L-Alanine,L-Valine!CD"#$%&y34¦iV @DÍ&6!CH3yHj*

fA×¢âk
= L-Valine !©ª«oÏÀGÀ!A× CD "#$%&(H:Ø.V 2:ó.)VÜÝÏÀ
%y45!(I.),ØÙ¢â(Jó)2 y 3 jKA×"#$%&gØÙ! 6.1eV!L!Í}$, 7eV !M!Í}$yÚÛ²¼VÏÀ>ÃgÚÛ2$²²Ï!ê
ë,6789¼N²OPo¼Q%ÀiVÛ¥ cc-pVTZ+Rydberg(s,p)2A×yàá²R 1 jÛSó2! L-Valine !A×¢âyV>Tàá L-Alanine , L-Proline !A×¢
â,UjK¦R 1 jËù 7eV V¬!()yW,V3 §)!HÈÉÊ2XYÓM!
Í}$2Öjèèç%:VL-Alanine , L-Valine 2g n Zbè%![\VL-Proline 2g!
Zbè%![\2ÖÐ,¼çè]jV(b)(1)!A×¢â!^^y 4 jK 4 !
CD "#$%&gV 1 !!(_Ø.)V 1 !B&C D&6yEF¿?!(Ân)V@DÍ&6yEF¿?!(`n)V 2 !!(_ó.)2ÖB&C D&6yEF¿? CD "#$%&!*+ga¿²¼V @DÍ&6yEF¿?, 6eV V¬, 9eV>b2*+¼9$ÇV 2 ! CD "#$%&jæÇR 1 ¶·VL-Valine ! CD "#$%&jËù3Í}$!()!ÆÇ¼B&C D&6! nVÇg!Zbè%![\2Ö¼VCD "#$%&y9$Ç*+¿?êëgB&C D&6!*+2gÇV @DÍ&6!*+2ÖOPo¼c²,Q%À
R 1= L-Alanine, L-Proline, L-Valine ! CD "#$%&!()

Rotatory Strength / arb. unit(a)!

L-Alanine
EEanature
5.9n-!*
6.5n-Ryd7.0n-Ryd,!*
7.6
n-Ryd
8.0
n-Ryd

L-Proline
EEa
nature
5.8
n-!*
6.6
n-!*
7.1
!-Ryd,!*
7.7
!-Ryd
8.1
!-Ryd

10.0

9.1

n,#-Ryd

L-Valine
EEa
nature
6.1
6.8
7.9
8.5
8.8
9.1
9.7

#"!-Rydn-Ryd
n-Ryd,!*!-Ryd!-Ryd,!*n"!-Ryd#-Ryd#"!-Ryda

Excitation Energy [eV], _:M!Í}$VI:L!Í}$(b)NH3+

CH3+H3N

HO!
CH

CH3H!

i-PrO

COO-NH3+OC!
H&!

%$#Excitation Energy / eVO

i-Pr"H+H3N

H!

 4. L-Valine ! CD "#$%&(a)Ø.: 1Vó.: 2(b)I.:45"#$%&VJó:ØÙ"#$%& !

H3C

CH3
COO-+H N

H

NH +33H(1)M.Tanaka, K.Watanabe, T.Yamada, F.Kaneko, K.Nakagawa,O
Chirality 18, 196 (2006)(2)F.Kaneko, K.Watanabe, M.Tanaka, K.Nakagawa, Journal of the
H3C
CH3
C
Physical Society of Japan, 78, 013001 (2009)
H O
i-Pr
COO(3)XZV\]VdVZ`V+e6öf 2008 ghi&!
%$#"(4)RSVWXVXZV\]VZ`VcXV;ö+e6öf
Excitation Energy / eV2009 ghi
 4. L-Valine !©ªy*+¿?S! CD "#$%&(5) B.Dalhus, C.H.Gorbitz, Acta Chem.Scand, 50, 544, (1996);è%V 1VCOO yEF¿?!Vi-Pr yEF¿?
!V 2 yR¦